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

Systemtic Name: (4-nitrophenyl)methyl 2-[2-[cyano(methyl)amino]-1-methylsulfanyl-2-oxidanylidene-ethyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[2-[cyano(methyl)amino]-1-methylsulfanyl-2-oxo-ethyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-[2-[cyano(methyl)amino]-1-(methylthio)-2-oxoethyl]-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-[cyano(methyl)amino]-1-methylsulfanyl-2-oxoethyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-[2-[cyano(methyl)amino]-2-keto-1-(methylthio)ethyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H22N4O8S2 MolecularWeight: 486.51928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O8S2/c1-20(11-19)17(23)16(31-2)15-8-14(30-32(3,27)28)9-21(15)18(24)29-10-12-4-6-13(7-5-12)22(25)26/h4-7,14-16H,8-10H2,1-3H3