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4-[(1-methyl-2-sulfanylidene-3H-indol-3-yl)carbonyl]benzoic acid

4-[(1-methyl-2-sulfanylidene-3H-indol-3-yl)carbonyl]benzoic acid

Systemtic Name:4-[(1-methyl-2-sulfanylidene-3H-indol-3-yl)carbonyl]benzoic acid
Openeye Name:4-(1-methyl-2-thioxo-indoline-3-carbonyl)benzoic acid
CAS Name:4-[(1-methyl-2-sulfanylidene-3H-indol-3-yl)-oxomethyl]benzoic acid
IUPAC Name:4-(1-methyl-2-sulfanylidene-3H-indole-3-carbonyl)benzoic acid
Traditional Name:4-(1-methyl-2-thioxo-indoline-3-carbonyl)benzoic acid
Formula: C17H13NO3S
MolecularWeight: 311.35502
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(C1=S)C(=O)C3=CC=C(C=C3)C(=O)O


Isomeric SMILES

CN1C2=CC=CC=C2C(C1=S)C(=O)C3=CC=C(C=C3)C(=O)O


InChI

InChI=1S/C17H13NO3S/c1-18-13-5-3-2-4-12(13)14(16(18)22)15(19)10-6-8-11(9-7-10)17(20)21/h2-9,14H,1H3,(H,20,21)


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