(4-nitrophenyl)methyl 2-(methylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(methylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(methylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-(methylcarbamoyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(methylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-(methylcarbamoyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C14H17N3O5S MolecularWeight: 339.36688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

CNC(=O)C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C14H17N3O5S/c1-15-13(18)12-6-11(23)7-16(12)14(19)22-8-9-2-4-10(5-3-9)17(20)21/h2-5,11-12,23H,6-8H2,1H3,(H,15,18)