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

Systemtic Name: (4-nitrophenyl)methyl 2-(2-acetyloxyethylsulfanylmethyl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(2-acetoxyethylsulfanylmethyl)-4-acetylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(2-acetyloxyethylthio)methyl]-4-(acetylthio)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-acetyloxyethylsulfanylmethyl)-4-acetylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(2-acetoxyethylthio)methyl]-4-(acetylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H24N2O7S2 MolecularWeight: 456.53306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O7S2/c1-13(22)27-7-8-29-12-17-9-18(30-14(2)23)10-20(17)19(24)28-11-15-3-5-16(6-4-15)21(25)26/h3-6,17-18H,7-12H2,1-2H3