(5-ethanoyl-2-methoxy-phenyl)methyl (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl (3S)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5S/c1-14(24)15-7-8-20(27-2)17(9-15)13-28-22(26)16-10-21(25)23(12-16)18-5-4-6-19(11-18)29-3/h4-9,11,16H,10,12-13H2,1-3H3/t16-/m0/s1