(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-methyl-2-(1-pyridin-3-ylethylcarbamoyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-methyl-2-(1-pyridin-3-ylethylcarbamoyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-methyl-2-[1-(3-pyridyl)ethylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-methyl-2-[oxo-[1-(3-pyridinyl)ethylamino]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-methyl-2-(1-pyridin-3-ylethylcarbamoyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-methyl-2-[1-(3-pyridyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C23H26N4O6S MolecularWeight: 486.54074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)NC(=O)C2(CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(=O)C)C

Isomeric SMILES

CC(C1=CN=CC=C1)NC(=O)C2(CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(=O)C)C

InChI

InChI=1S/C23H26N4O6S/c1-15(18-5-4-10-24-12-18)25-21(29)23(3)11-20(34-16(2)28)13-26(23)22(30)33-14-17-6-8-19(9-7-17)27(31)32/h4-10,12,15,20H,11,13-14H2,1-3H3,(H,25,29)