2-[[3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[3-[2-(2-methylindolin-1-yl)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[3-[[2-keto-2-(2-methylindolin-1-yl)ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CSC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)CSC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H22N2O4S/c1-16-13-17-7-2-5-12-22(17)27(16)23(28)15-32-19-9-6-8-18(14-19)26-24(29)20-10-3-4-11-21(20)25(30)31/h2-12,14,16H,13,15H2,1H3,(H,26,29)(H,30,31)