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

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[3-(iodanylmethylamino)-2-methyl-3-oxidanylidene-1-sulfanyl-propyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[3-(iodomethylamino)-2-methyl-3-oxo-1-sulfanyl-propyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[3-(iodomethylamino)-1-mercapto-2-methyl-3-oxopropyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[3-(iodomethylamino)-2-methyl-3-oxo-1-sulfanylpropyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[3-(iodomethylamino)-3-keto-1-mercapto-2-methyl-propyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H24IN3O6S2 MolecularWeight: 581.44483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C)S)C(=O)NCI

Isomeric SMILES

CC(C(C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C)S)C(=O)NCI

InChI

InChI=1S/C19H24IN3O6S2/c1-11(18(25)21-10-20)17(30)16-7-15(31-12(2)24)8-22(16)19(26)29-9-13-3-5-14(6-4-13)23(27)28/h3-6,11,15-17,30H,7-10H2,1-2H3,(H,21,25)