(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(methylcarbamoyloxymethyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(methylcarbamoyloxymethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(methylcarbamoyloxymethyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(methylcarbamoyloxymethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(methylcarbamoyloxymethyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(methylcarbamoyloxymethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H21N3O7S MolecularWeight: 411.42954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COC(=O)NC

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COC(=O)NC

InChI

InChI=1S/C17H21N3O7S/c1-11(21)28-15-7-14(10-26-16(22)18-2)19(8-15)17(23)27-9-12-3-5-13(6-4-12)20(24)25/h3-6,14-15H,7-10H2,1-2H3,(H,18,22)