(4-nitrophenyl)methyl 2-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(4,5-dihydrothiazol-2-yl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(4,5-dihydrothiazol-2-yl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(2-thiazolin-2-yl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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-])C3=NCCS3

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=NCCS3

InChI

InChI=1S/C17H19N3O5S2/c1-11(21)27-14-8-15(16-18-6-7-26-16)19(9-14)17(22)25-10-12-2-4-13(5-3-12)20(23)24/h2-5,14-15H,6-10H2,1H3