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

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(1-oxidanylpropyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1-hydroxypropyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(1-hydroxypropyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1-hydroxypropyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(1-hydroxypropyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O6S/c1-3-16(21)15-8-14(26-11(2)20)9-18(15)17(22)25-10-12-4-6-13(7-5-12)19(23)24/h4-7,14-16,21H,3,8-10H2,1-2H3