[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)COC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)COC(=O)[C@H]2CC(=O)N(C2)C3=CC(=CC=C3)SC

InChI

InChI=1S/C21H21NO5S/c1-26-17-8-6-14(7-9-17)19(23)13-27-21(25)15-10-20(24)22(12-15)16-4-3-5-18(11-16)28-2/h3-9,11,15H,10,12-13H2,1-2H3/t15-/m0/s1