(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[methyl(propyl)carbamoyl]-3-pyridin-4-yl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[methyl(propyl)carbamoyl]-3-pyridin-4-yl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[methyl(propyl)carbamoyl]-3-(4-pyridyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[[methyl(propyl)amino]-oxomethyl]-3-pyridin-4-yl-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[methyl(propyl)carbamoyl]-3-pyridin-4-ylpyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[methyl(propyl)carbamoyl]-3-(4-pyridyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C24H28N4O6S MolecularWeight: 500.56732

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C(=O)C1C(C(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C)C3=CC=NC=C3

Isomeric SMILES

CCCN(C)C(=O)C1C(C(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C)C3=CC=NC=C3

InChI

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