[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)SC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)[C@H]2CC(=O)N(C2)C3=CC(=CC=C3)SC

InChI

InChI=1S/C22H24N2O4S/c1-14-6-4-7-15(2)21(14)23-19(25)13-28-22(27)16-10-20(26)24(12-16)17-8-5-9-18(11-17)29-3/h4-9,11,16H,10,12-13H2,1-3H3,(H,23,25)/t16-/m0/s1