(4-nitrophenyl)methyl 2-[2-[cyano(methyl)amino]-1-methylsulfanyl-2-oxidanylidene-ethyl]-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-[cyano(methyl)amino]-1-methylsulfanyl-2-oxidanylidene-ethyl]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[2-[cyano(methyl)amino]-1-methylsulfanyl-2-oxo-ethyl]-4-hydroxy-pyrrolidine-1-carboxylate CAS Name: 2-[2-[cyano(methyl)amino]-1-(methylthio)-2-oxoethyl]-4-hydroxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-[cyano(methyl)amino]-1-methylsulfanyl-2-oxoethyl]-4-hydroxypyrrolidine-1-carboxylate Traditional Name: 2-[2-[cyano(methyl)amino]-2-keto-1-(methylthio)ethyl]-4-hydroxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H20N4O6S MolecularWeight: 408.4289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C#N)C(=O)C(C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)SC

Isomeric SMILES

CN(C#N)C(=O)C(C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)SC

InChI

InChI=1S/C17H20N4O6S/c1-19(10-18)16(23)15(28-2)14-7-13(22)8-20(14)17(24)27-9-11-3-5-12(6-4-11)21(25)26/h3-6,13-15,22H,7-9H2,1-2H3