[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 3-(2-methylindolin-1-yl)sulfonylbenzoate CAS Name: 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-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-[4-(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=C(C=C4)SC

Isomeric SMILES

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

InChI

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