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

Systemtic Name: (4-nitrophenyl)methyl 2-[[2,4-bis(oxidanylidene)imidazolidin-1-yl]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(2,4-dioxo-1-imidazolidinyl)methyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(2,4-diketoimidazolidin-1-yl)methyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H18N4O6S MolecularWeight: 394.40232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CN2CC(=O)NC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1CN2CC(=O)NC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C16H18N4O6S/c21-14-8-18(15(22)17-14)6-12-5-13(27)7-19(12)16(23)26-9-10-1-3-11(4-2-10)20(24)25/h1-4,12-13,27H,5-9H2,(H,17,21,22)