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

Systemtic Name: (4-nitrophenyl)methyl 2-(dimethylcarbamoyloxymethyl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(dimethylcarbamoyloxymethyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[[dimethylamino(oxo)methoxy]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(dimethylcarbamoyloxymethyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(dimethylcarbamoyloxymethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H23N3O7S MolecularWeight: 425.45612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COC(=O)N(C)C

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COC(=O)N(C)C

InChI

InChI=1S/C18H23N3O7S/c1-12(22)29-16-8-15(11-28-17(23)19(2)3)20(9-16)18(24)27-10-13-4-6-14(7-5-13)21(25)26/h4-7,15-16H,8-11H2,1-3H3