[(1R)-1-(3-nitrophenyl)ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S/c1-13(14-5-3-7-17(9-14)22(25)26)27-20(24)15-10-19(23)21(12-15)16-6-4-8-18(11-16)28-2/h3-9,11,13,15H,10,12H2,1-2H3/t13-,15+/m1/s1