(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[(3-methylsulfonyl-2-oxidanylidene-imidazolidin-1-yl)methyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[(3-methylsulfonyl-2-oxidanylidene-imidazolidin-1-yl)methyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[(3-methylsulfonyl-2-oxo-imidazolidin-1-yl)methyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[(3-methylsulfonyl-2-oxo-1-imidazolidinyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[(3-methylsulfonyl-2-oxoimidazolidin-1-yl)methyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[(2-keto-3-mesyl-imidazolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H24N4O8S2 MolecularWeight: 500.54586

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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-])CN3CCN(C3=O)S(=O)(=O)C

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CN3CCN(C3=O)S(=O)(=O)C

InChI

InChI=1S/C19H24N4O8S2/c1-13(24)32-17-9-16(10-20-7-8-22(18(20)25)33(2,29)30)21(11-17)19(26)31-12-14-3-5-15(6-4-14)23(27)28/h3-6,16-17H,7-12H2,1-2H3