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

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-[4-(2-oxo-1-pyrrolidinyl)phenyl]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate Traditional Name: (2S)-2-[[2-[4-(2-ketopyrrolidino)phenyl]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CC1=CC=C(C=C1)N2CCCC2=O

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CC1=CC=C(C=C1)N2CCCC2=O

InChI

InChI=1S/C18H24N2O4S/c1-24-18(23)15(9-11-25-2)19-16(21)12-13-5-7-14(8-6-13)20-10-3-4-17(20)22/h5-8,15H,3-4,9-12H2,1-2H3,(H,19,21)/t15-/m0/s1