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

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(4-pyridin-4-ylbutylcarbamoyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[4-(4-pyridyl)butylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[oxo-(4-pyridin-4-ylbutylamino)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(4-pyridin-4-ylbutylcarbamoyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[4-(4-pyridyl)butylcarbamoyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C24H28N4O6S MolecularWeight: 500.56732

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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)NCCCCC3=CC=NC=C3

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCCCCC3=CC=NC=C3

InChI

InChI=1S/C24H28N4O6S/c1-17(29)35-21-14-22(23(30)26-11-3-2-4-18-9-12-25-13-10-18)27(15-21)24(31)34-16-19-5-7-20(8-6-19)28(32)33/h5-10,12-13,21-22H,2-4,11,14-16H2,1H3,(H,26,30)