[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 2-methyl-1-methylsulfonyl-indoline-5-carboxylate CAS Name: 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesyl-2-methyl-indoline-5-carboxylic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H22N2O5S2/c1-13-10-15-11-14(4-9-18(15)22(13)29(3,25)26)20(24)27-12-19(23)21-16-5-7-17(28-2)8-6-16/h4-9,11,13H,10,12H2,1-3H3,(H,21,23)