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

Systemtic Name: (4-nitrophenyl)methyl 2-[(2-oxidanylideneimidazolidin-1-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(2-oxoimidazolidin-1-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[(2-oxo-1-imidazolidinyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(2-oxoimidazolidin-1-yl)methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(2-ketoimidazolidin-1-yl)methyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H20N4O5S MolecularWeight: 380.4188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1CN(C(=O)N1)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C16H20N4O5S/c21-15-17-5-6-18(15)8-13-7-14(26)9-19(13)16(22)25-10-11-1-3-12(4-2-11)20(23)24/h1-4,13-14,26H,5-10H2,(H,17,21)