[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] (3R)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] (3R)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] (3R)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] (3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-p-phenetyl-pyrrolidine-3-carboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C24H26N2O6S MolecularWeight: 470.53804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)C3=CC(=C(C=C3)SC)NC(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)OCC(=O)C3=CC(=C(C=C3)SC)NC(=O)C

InChI

InChI=1S/C24H26N2O6S/c1-4-31-19-8-6-18(7-9-19)26-13-17(12-23(26)29)24(30)32-14-21(28)16-5-10-22(33-3)20(11-16)25-15(2)27/h5-11,17H,4,12-14H2,1-3H3,(H,25,27)/t17-/m1/s1