[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(o-tolylmethylamino)-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-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)[C@H]2CC(=O)N(C2)C3=CC(=CC=C3)SC

InChI

InChI=1S/C22H24N2O4S/c1-15-6-3-4-7-16(15)12-23-20(25)14-28-22(27)17-10-21(26)24(13-17)18-8-5-9-19(11-18)29-2/h3-9,11,17H,10,12-14H2,1-2H3,(H,23,25)/t17-/m0/s1