(4-nitrophenyl)methyl 2-(imidazol-1-ylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(imidazol-1-ylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(imidazol-1-ylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(1-imidazolylmethyl)-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(imidazol-1-ylmethyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(imidazol-1-ylmethyl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H18N4O4S MolecularWeight: 362.40352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CN2C=CN=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1CN2C=CN=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C16H18N4O4S/c21-16(24-10-12-1-3-13(4-2-12)20(22)23)19-9-15(25)7-14(19)8-18-6-5-17-11-18/h1-6,11,14-15,25H,7-10H2