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

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[3-oxidanylidene-3-(pyridin-3-ylamino)propyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[3-oxo-3-(3-pyridylamino)propyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[3-oxo-3-(3-pyridinylamino)propyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[3-keto-3-(3-pyridylamino)propyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C22H24N4O6S MolecularWeight: 472.51416

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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-])CCC(=O)NC3=CN=CC=C3

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CCC(=O)NC3=CN=CC=C3

InChI

InChI=1S/C22H24N4O6S/c1-15(27)33-20-11-19(8-9-21(28)24-17-3-2-10-23-12-17)25(13-20)22(29)32-14-16-4-6-18(7-5-16)26(30)31/h2-7,10,12,19-20H,8-9,11,13-14H2,1H3,(H,24,28)