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

Systemtic Name: (4-nitrophenyl)methyl 4-ethoxycarbonylsulfanyl-2-(methylcarbamoyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-ethoxycarbonylsulfanyl-2-(methylcarbamoyl)pyrrolidine-1-carboxylate CAS Name: 4-(ethoxycarbonylthio)-2-(methylcarbamoyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-ethoxycarbonylsulfanyl-2-(methylcarbamoyl)pyrrolidine-1-carboxylate Traditional Name: 4-(carbethoxythio)-2-(methylcarbamoyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H21N3O7S MolecularWeight: 411.42954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O7S/c1-3-26-17(23)28-13-8-14(15(21)18-2)19(9-13)16(22)27-10-11-4-6-12(7-5-11)20(24)25/h4-7,13-14H,3,8-10H2,1-2H3,(H,18,21)