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

Systemtic Name: (4-nitrophenyl)methyl 2-[2,4-bis(oxidanylidene)imidazolidin-1-yl]-4-ethanoylsulfanyl-2-methyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(2,4-dioxoimidazolidin-1-yl)-2-methyl-pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(2,4-dioxo-1-imidazolidinyl)-2-methyl-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(2,4-dioxoimidazolidin-1-yl)-2-methylpyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(2,4-diketoimidazolidin-1-yl)-2-methyl-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H20N4O7S MolecularWeight: 436.439

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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)N3CC(=O)NC3=O

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])(C)N3CC(=O)NC3=O

InChI

InChI=1S/C18H20N4O7S/c1-11(23)30-14-7-18(2,20-9-15(24)19-16(20)25)21(8-14)17(26)29-10-12-3-5-13(6-4-12)22(27)28/h3-6,14H,7-10H2,1-2H3,(H,19,24,25)