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

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[(3-ethyl-2-oxidanylidene-imidazolidin-1-yl)methyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[(3-ethyl-2-oxo-imidazolidin-1-yl)methyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[(3-ethyl-2-oxo-1-imidazolidinyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[(3-ethyl-2-oxoimidazolidin-1-yl)methyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[(3-ethyl-2-keto-imidazolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C20H26N4O6S MolecularWeight: 450.50864

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C1=O)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(=O)C

Isomeric SMILES

CCN1CCN(C1=O)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(=O)C

InChI

InChI=1S/C20H26N4O6S/c1-3-21-8-9-22(19(21)26)11-17-10-18(31-14(2)25)12-23(17)20(27)30-13-15-4-6-16(7-5-15)24(28)29/h4-7,17-18H,3,8-13H2,1-2H3