[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate CAS Name: 4-(1H-benzimidazol-2-ylthio)butanoic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1H-benzimidazol-2-ylthio)butyric acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C19H17FN2O3S MolecularWeight: 372.413283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCCCC(=O)OCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCCCC(=O)OCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H17FN2O3S/c20-14-9-7-13(8-10-14)17(23)12-25-18(24)6-3-11-26-19-21-15-4-1-2-5-16(15)22-19/h1-2,4-5,7-10H,3,6,11-12H2,(H,21,22)