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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)N3C=CN=C3

Isomeric SMILES

CC1(CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)N3C=CN=C3

InChI

InChI=1S/C16H18N4O4S/c1-16(18-7-6-17-11-18)8-14(25)9-19(16)15(21)24-10-12-2-4-13(5-3-12)20(22)23/h2-7,11,14,25H,8-10H2,1H3