[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 3-(2-methylindolin-1-yl)sulfonylbenzoate CAS Name: 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate Traditional Name: 3-(2-methylindolin-1-yl)sulfonylbenzoic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C25H24N2O5S2 MolecularWeight: 496.59846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NC4=CC(=CC=C4)SC

Isomeric SMILES

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C25H24N2O5S2/c1-17-13-18-7-3-4-12-23(18)27(17)34(30,31)22-11-5-8-19(14-22)25(29)32-16-24(28)26-20-9-6-10-21(15-20)33-2/h3-12,14-15,17H,13,16H2,1-2H3,(H,26,28)