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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=NC=C1)NC(=O)C2CCN(C2SC(=O)C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C1=CC=NC=C1)NC(=O)C2CCN(C2SC(=O)C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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