(3S)-N-[2-(3-methylphenoxy)ethyl]-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(3-methylphenoxy)ethyl]-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-[2-(3-methylphenoxy)ethyl]-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-[2-(3-methylphenoxy)ethyl]-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-[2-(3-methylphenoxy)ethyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-N-[2-(3-methylphenoxy)ethyl]-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)[C@H]2CC(=O)N(C2)C3=CC(=CC=C3)SC

InChI

InChI=1S/C21H24N2O3S/c1-15-5-3-7-18(11-15)26-10-9-22-21(25)16-12-20(24)23(14-16)17-6-4-8-19(13-17)27-2/h3-8,11,13,16H,9-10,12,14H2,1-2H3,(H,22,25)/t16-/m0/s1