4-[1-(1-benzothiophen-3-ylmethyl)-5-cyano-benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[1-(1-benzothiophen-3-ylmethyl)-5-cyano-benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-(benzothiophen-3-ylmethyl)-5-cyano-benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-(1-benzothiophen-3-ylmethyl)-5-cyano-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-(1-benzothiophen-3-ylmethyl)-5-cyanobenzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-(benzothiophen-3-ylmethyl)-5-cyano-benzimidazol-2-yl]thio]butyric acid Formula: C21H17N3O2S2 MolecularWeight: 407.50858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)CN3C4=C(C=C(C=C4)C#N)N=C3SCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)CN3C4=C(C=C(C=C4)C#N)N=C3SCCCC(=O)O

InChI

InChI=1S/C21H17N3O2S2/c22-11-14-7-8-18-17(10-14)23-21(27-9-3-6-20(25)26)24(18)12-15-13-28-19-5-2-1-4-16(15)19/h1-2,4-5,7-8,10,13H,3,6,9,12H2,(H,25,26)