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

Systemtic Name: (4-nitrophenyl)methyl 2-(1-aminocarbonylcyclopropyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(1-carbamoylcyclopropyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(1-carbamoylcyclopropyl)-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(1-carbamoylcyclopropyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(1-carbamoylcyclopropyl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H19N3O5S MolecularWeight: 365.40416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)C(=O)N

Isomeric SMILES

C1CC1(C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)C(=O)N

InChI

InChI=1S/C16H19N3O5S/c17-14(20)16(5-6-16)13-7-12(25)8-18(13)15(21)24-9-10-1-3-11(4-2-10)19(22)23/h1-4,12-13,25H,5-9H2,(H2,17,20)