1-methyl-2-[2-oxidanylidene-2-[(2-sulfanylphenyl)amino]ethyl]indole-3-carboxylic acid

Systemtic Name: 1-methyl-2-[2-oxidanylidene-2-[(2-sulfanylphenyl)amino]ethyl]indole-3-carboxylic acid Openeye Name: 1-methyl-2-[2-oxo-2-(2-sulfanylanilino)ethyl]indole-3-carboxylic acid CAS Name: 2-[2-(2-mercaptoanilino)-2-oxoethyl]-1-methyl-3-indolecarboxylic acid IUPAC Name: 1-methyl-2-[2-oxo-2-(2-sulfanylanilino)ethyl]indole-3-carboxylic acid Traditional Name: 2-[2-keto-2-(2-mercaptoanilino)ethyl]-1-methyl-indole-3-carboxylic acid Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1CC(=O)NC3=CC=CC=C3S)C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1CC(=O)NC3=CC=CC=C3S)C(=O)O

InChI

InChI=1S/C18H16N2O3S/c1-20-13-8-4-2-6-11(13)17(18(22)23)14(20)10-16(21)19-12-7-3-5-9-15(12)24/h2-9,24H,10H2,1H3,(H,19,21)(H,22,23)