(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[(2-oxidanylideneimidazolidin-1-yl)methyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[(2-oxidanylideneimidazolidin-1-yl)methyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[(2-oxoimidazolidin-1-yl)methyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[(2-oxo-1-imidazolidinyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[(2-oxoimidazolidin-1-yl)methyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[(2-ketoimidazolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H22N4O6S MolecularWeight: 422.45548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CN3CCNC3=O

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CN3CCNC3=O

InChI

InChI=1S/C18H22N4O6S/c1-12(23)29-16-8-15(9-20-7-6-19-17(20)24)21(10-16)18(25)28-11-13-2-4-14(5-3-13)22(26)27/h2-5,15-16H,6-11H2,1H3,(H,19,24)