[2-oxidanylidene-2-(phenethylamino)ethyl] (3R)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] (3R)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] (3R)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] (3R)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)OCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)N2C[C@@H](CC2=O)C(=O)OCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4S/c1-29-19-9-5-8-18(13-19)24-14-17(12-21(24)26)22(27)28-15-20(25)23-11-10-16-6-3-2-4-7-16/h2-9,13,17H,10-12,14-15H2,1H3,(H,23,25)/t17-/m1/s1