4-[1-(1-benzothiophen-2-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[1-(1-benzothiophen-2-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-(benzothiophen-2-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-(1-benzothiophen-2-ylmethyl)-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-(1-benzothiophen-2-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-(benzothiophen-2-ylmethyl)benzimidazol-2-yl]thio]butyric acid Formula: C20H18N2O2S2 MolecularWeight: 382.49912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)CN3C4=CC=CC=C4N=C3SCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)CN3C4=CC=CC=C4N=C3SCCCC(=O)O

InChI

InChI=1S/C20H18N2O2S2/c23-19(24)10-5-11-25-20-21-16-7-2-3-8-17(16)22(20)13-15-12-14-6-1-4-9-18(14)26-15/h1-4,6-9,12H,5,10-11,13H2,(H,23,24)