4-[1-[(4-chloranyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[1-[(4-chloranyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-[(4-chlorobenzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-[(4-chloro-1-benzothiophen-3-yl)methyl]-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-[(4-chloro-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-[(4-chlorobenzothiophen-3-yl)methyl]benzimidazol-2-yl]thio]butyric acid Formula: C20H17ClN2O2S2 MolecularWeight: 416.94418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CC3=CSC4=C3C(=CC=C4)Cl)SCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CC3=CSC4=C3C(=CC=C4)Cl)SCCCC(=O)O

InChI

InChI=1S/C20H17ClN2O2S2/c21-14-5-3-8-17-19(14)13(12-27-17)11-23-16-7-2-1-6-15(16)22-20(23)26-10-4-9-18(24)25/h1-3,5-8,12H,4,9-11H2,(H,24,25)