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

Systemtic Name: (4-nitrophenyl)methyl 2-(2-acetyloxyethyl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(2-acetoxyethyl)-4-acetylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(2-acetyloxyethyl)-4-(acetylthio)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-acetyloxyethyl)-4-acetylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(2-acetoxyethyl)-4-(acetylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H22N2O7S MolecularWeight: 410.44148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C

Isomeric SMILES

CC(=O)OCCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C

InChI

InChI=1S/C18H22N2O7S/c1-12(21)26-8-7-16-9-17(28-13(2)22)10-19(16)18(23)27-11-14-3-5-15(6-4-14)20(24)25/h3-6,16-17H,7-11H2,1-2H3