(4-nitrophenyl)methyl 2-(acetyloxymethyl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(acetyloxymethyl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(acetoxymethyl)-4-acetylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(acetyloxymethyl)-4-(acetylthio)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(acetyloxymethyl)-4-acetylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(acetoxymethyl)-4-(acetylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H20N2O7S MolecularWeight: 396.4149

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C

Isomeric SMILES

CC(=O)OCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C

InChI

InChI=1S/C17H20N2O7S/c1-11(20)25-10-15-7-16(27-12(2)21)8-18(15)17(22)26-9-13-3-5-14(6-4-13)19(23)24/h3-6,15-16H,7-10H2,1-2H3