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

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-oxo-2-(propylamino)ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid [2-keto-2-(propylamino)ethyl] ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)C1CC(=O)N(C1)C2=CC(=CC=C2)SC

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S/c1-3-7-18-15(20)11-23-17(22)12-8-16(21)19(10-12)13-5-4-6-14(9-13)24-2/h4-6,9,12H,3,7-8,10-11H2,1-2H3,(H,18,20)/t12-/m0/s1