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

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(ethoxycarbonyloxymethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(ethoxycarbonyloxymethyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(ethoxycarbonyloxymethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(ethoxycarbonyloxymethyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(carbethoxyoxymethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H22N2O8S MolecularWeight: 426.44088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O8S/c1-3-26-18(23)28-11-15-8-16(29-12(2)21)9-19(15)17(22)27-10-13-4-6-14(7-5-13)20(24)25/h4-7,15-16H,3,8-11H2,1-2H3