(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(1,2,4-thiadiazol-5-yl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H16N4O5S2 MolecularWeight: 408.45204

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=NC=NS3

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=NC=NS3

InChI

InChI=1S/C16H16N4O5S2/c1-10(21)26-13-6-14(15-17-9-18-27-15)19(7-13)16(22)25-8-11-2-4-12(5-3-11)20(23)24/h2-5,9,13-14H,6-8H2,1H3