(4-nitrophenyl)methyl (2R,4R)-2-(dimethylcarbamoyl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2R,4R)-2-(dimethylcarbamoyl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2R,4R)-4-acetylsulfanyl-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate CAS Name: (2R,4R)-4-(acetylthio)-2-[dimethylamino(oxo)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2R,4R)-4-acetylsulfanyl-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate Traditional Name: (2R,4R)-4-(acetylthio)-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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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-])C(=O)N(C)C

Isomeric SMILES

CC(=O)S[C@@H]1C[C@@H](N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N(C)C

InChI

InChI=1S/C17H21N3O6S/c1-11(21)27-14-8-15(16(22)18(2)3)19(9-14)17(23)26-10-12-4-6-13(7-5-12)20(24)25/h4-7,14-15H,8-10H2,1-3H3/t14-,15-/m1/s1