phenacyl (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: phenacyl (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: phenacyl (3S)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid phenacyl ester Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO4S/c1-26-17-9-5-8-16(11-17)21-12-15(10-19(21)23)20(24)25-13-18(22)14-6-3-2-4-7-14/h2-9,11,15H,10,12-13H2,1H3/t15-/m0/s1