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

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[[3-(2-hydroxyethyl)-2-oxidanylidene-imidazolidin-1-yl]methyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[[3-(2-hydroxyethyl)-2-oxo-imidazolidin-1-yl]methyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[[3-(2-hydroxyethyl)-2-oxo-1-imidazolidinyl]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]methyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[[3-(2-hydroxyethyl)-2-keto-imidazolidin-1-yl]methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C20H26N4O7S MolecularWeight: 466.50804

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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)CCO

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O7S/c1-14(26)32-18-10-17(11-22-7-6-21(8-9-25)19(22)27)23(12-18)20(28)31-13-15-2-4-16(5-3-15)24(29)30/h2-5,17-18,25H,6-13H2,1H3