(4-methylsulfanylphenyl)methyl (3S)-1-(2,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl (3S)-1-(2,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl (3S)-1-(2,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (3S)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,4-dimethoxyphenyl)-5-keto-pyrrolidine-3-carboxylic acid [4-(methylthio)benzyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)OCC3=CC=C(C=C3)SC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC3=CC=C(C=C3)SC)OC

InChI

InChI=1S/C21H23NO5S/c1-25-16-6-9-18(19(11-16)26-2)22-12-15(10-20(22)23)21(24)27-13-14-4-7-17(28-3)8-5-14/h4-9,11,15H,10,12-13H2,1-3H3/t15-/m0/s1