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

Systemtic Name: 4-[1-(1-benzothiophen-2-ylmethyl)-5-methyl-benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-(benzothiophen-2-ylmethyl)-5-methyl-benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-(1-benzothiophen-2-ylmethyl)-5-methyl-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-(1-benzothiophen-2-ylmethyl)-5-methylbenzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-(benzothiophen-2-ylmethyl)-5-methyl-benzimidazol-2-yl]thio]butyric acid Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=N2)SCCCC(=O)O)CC3=CC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=N2)SCCCC(=O)O)CC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N2O2S2/c1-14-8-9-18-17(11-14)22-21(26-10-4-7-20(24)25)23(18)13-16-12-15-5-2-3-6-19(15)27-16/h2-3,5-6,8-9,11-12H,4,7,10,13H2,1H3,(H,24,25)