(4-nitrophenyl)methyl (2S,4R)-2-(2-acetyloxyethylsulfanylmethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4R)-2-(2-acetyloxyethylsulfanylmethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4R)-2-(2-acetoxyethylsulfanylmethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: (2S,4R)-2-[(2-acetyloxyethylthio)methyl]-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4R)-2-(2-acetyloxyethylsulfanylmethyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: (2S,4R)-2-[(2-acetoxyethylthio)methyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H24N2O9S2 MolecularWeight: 476.52116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C

Isomeric SMILES

CC(=O)OCCSC[C@@H]1C[C@H](CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C

InChI

InChI=1S/C18H24N2O9S2/c1-13(21)27-7-8-30-12-16-9-17(29-31(2,25)26)10-19(16)18(22)28-11-14-3-5-15(6-4-14)20(23)24/h3-6,16-17H,7-12H2,1-2H3/t16-,17+/m0/s1