60712
  -OEChem-05112417292D

 30 32  0     0  0  0  0  0  0999 V2000
    2.0000    1.1073    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2418    2.9816    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    2.6068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -1.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.6974    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871   -2.3923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -1.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    2.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5754    1.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4423    1.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2361    2.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4379   -0.4297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5096    0.7818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0083    1.6437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3797   -2.9816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5804   -2.2644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6518    3.3354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 18  1  0  0  0  0
  2 21  1  0  0  0  0
  3 11  1  0  0  0  0
  3 25  1  0  0  0  0
  4 14  2  0  0  0  0
  5 17  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 17  1  0  0  0  0
  7 17  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 22  1  0  0  0  0
 13 16  2  0  0  0  0
 13 23  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 24  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  2  0  0  0  0
 20 27  1  0  0  0  0
 21 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60712

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
450

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABEAAAAAAAAAAAAAAAAAWJAAAAwAAAAAAAAAFgB/AAAHgYQCAAADA6F3iCxxfNMEgisA6RyVACDgKAlLzBImDk0btyIJv7jl5OEcchk5BPo2ee8yOCOgABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-2-hydroxy-3-[oxo(thiophen-2-yl)methyl]-1-indolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indole-1-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloro-2-hydroxy-3-(2-thenoyl)indole-1-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,20)

> <PUBCHEM_IUPAC_INCHIKEY>
IZSFDUMVCVVWKW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
320.0022410

> <PUBCHEM_MOLECULAR_FORMULA>
C14H9ClN2O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
320.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CSC(=C1)C(=O)C2=C(N(C3=C2C=C(C=C3)Cl)C(=O)N)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CSC(=C1)C(=O)C2=C(N(C3=C2C=C(C=C3)Cl)C(=O)N)O

> <PUBCHEM_CACTVS_TPSA>
114

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
320.0022410

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  11  8
12  15  8
13  16  8
15  16  8
18  19  8
19  20  8
2  18  8
2  21  8
20  21  8
6  11  8
6  9  8
8  10  8
8  12  8
8  9  8
9  13  8

$$$$