(4-ethanoyl-2-methoxy-phenyl) (3R)-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-ethanoyl-2-methoxy-phenyl) (3R)-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-acetyl-2-methoxy-phenyl) (3R)-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid (4-acetyl-2-methoxyphenyl) ester IUPAC Name: (4-acetyl-2-methoxyphenyl) (3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxylic acid (4-acetyl-2-methoxy-phenyl) ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S/c1-13(23)14-4-9-18(19(10-14)26-2)27-21(25)15-11-20(24)22(12-15)16-5-7-17(28-3)8-6-16/h4-10,15H,11-12H2,1-3H3/t15-/m1/s1