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

Systemtic Name: (4-methylsulfanylphenyl) (3R)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-methylsulfanylphenyl) (3R)-1-(2-methoxy-5-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-(2-methoxy-5-methyl-phenyl)pyrrolidine-3-carboxylic acid [4-(methylthio)phenyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)OC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C[C@@H](CC2=O)C(=O)OC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H21NO4S/c1-13-4-9-18(24-2)17(10-13)21-12-14(11-19(21)22)20(23)25-15-5-7-16(26-3)8-6-15/h4-10,14H,11-12H2,1-3H3/t14-/m1/s1