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

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(dimethylamino)-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-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)COC(=O)C1CC(=O)N(C1)C2=CC(=CC=C2)SC

Isomeric SMILES

CN(C)C(=O)COC(=O)[C@H]1CC(=O)N(C1)C2=CC(=CC=C2)SC

InChI

InChI=1S/C16H20N2O4S/c1-17(2)15(20)10-22-16(21)11-7-14(19)18(9-11)12-5-4-6-13(8-12)23-3/h4-6,8,11H,7,9-10H2,1-3H3/t11-/m0/s1