919029
  -OEChem-06192423162D

 25 26  0     0  0  0  0  0  0999 V2000
    9.9939   -1.3660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    1.1708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.4387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939    0.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.4440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3039    0.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0765   -0.2879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3863    0.1106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.3291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 16  1  0  0  0  0
  4 14  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  2  0  0  0  0
  9 17  1  0  0  0  0
 10 13  2  0  0  0  0
 10 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
919029

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
267

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgYQAAAACA+B1kIz17LIFAisASVydACD+KlhKjlJmDw2bJjMJqLkuZvEMChs0RNI6CewQAAAAEAABAAAAQAAgAAIAAACAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-chloro-<I>N</I>-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-chloranyl-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H9ClN2O2S/c1-15-6-2-3-7-8(4-6)16-10(12-7)13-9(14)5-11/h2-4H,5H2,1H3,(H,12,13,14)

> <PUBCHEM_IUPAC_INCHIKEY>
OYGSDMFSKFBVOM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
256.0073264

> <PUBCHEM_MOLECULAR_FORMULA>
C10H9ClN2O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
256.71

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCl

> <PUBCHEM_CACTVS_TPSA>
79.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
256.0073264

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
12  13  8
2  11  8
2  7  8
5  11  8
5  8  8
7  8  8
7  9  8
8  10  8
9  12  8

$$$$
