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

Systemtic Name: 3-[(1-methyl-2-sulfanylidene-3H-indol-3-yl)carbonylamino]benzoic acid Openeye Name: 3-[(1-methyl-2-thioxo-indoline-3-carbonyl)amino]benzoic acid CAS Name: 3-[[(1-methyl-2-sulfanylidene-3H-indol-3-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(1-methyl-2-sulfanylidene-3H-indole-3-carbonyl)amino]benzoic acid Traditional Name: 3-[(1-methyl-2-thioxo-indoline-3-carbonyl)amino]benzoic acid Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(C1=S)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C(C1=S)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H14N2O3S/c1-19-13-8-3-2-7-12(13)14(16(19)23)15(20)18-11-6-4-5-10(9-11)17(21)22/h2-9,14H,1H3,(H,18,20)(H,21,22)