methyl (2S)-4-methylsulfanyl-2-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[3-(2-oxo-1-pyrrolidinyl)phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanoate Traditional Name: (2S)-2-[[3-(2-ketopyrrolidino)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=CC=C1)N2CCCC2=O

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC(=CC=C1)N2CCCC2=O

InChI

InChI=1S/C17H22N2O4S/c1-23-17(22)14(8-10-24-2)18-16(21)12-5-3-6-13(11-12)19-9-4-7-15(19)20/h3,5-6,11,14H,4,7-10H2,1-2H3,(H,18,21)/t14-/m0/s1