(3S)-N-(2-acetamidoethyl)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(2-acetamidoethyl)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(2-acetamidoethyl)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(2-acetamidoethyl)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(2-acetamidoethyl)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-(2-acetamidoethyl)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1CC(=O)N(C1)C2=CC(=CC=C2)SC

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S/c1-11(20)17-6-7-18-16(22)12-8-15(21)19(10-12)13-4-3-5-14(9-13)23-2/h3-5,9,12H,6-8,10H2,1-2H3,(H,17,20)(H,18,22)/t12-/m0/s1