(4-methoxycarbonylphenyl)methyl (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl)methyl (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl (3S)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid (4-carbomethoxybenzyl) ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S/c1-26-20(24)15-8-6-14(7-9-15)13-27-21(25)16-10-19(23)22(12-16)17-4-3-5-18(11-17)28-2/h3-9,11,16H,10,12-13H2,1-2H3/t16-/m0/s1