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

Systemtic Name: 4-[1-(1-benzothiophen-3-ylmethyl)-5-methoxy-benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-(benzothiophen-3-ylmethyl)-5-methoxy-benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-(1-benzothiophen-3-ylmethyl)-5-methoxy-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-(1-benzothiophen-3-ylmethyl)-5-methoxybenzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-(benzothiophen-3-ylmethyl)-5-methoxy-benzimidazol-2-yl]thio]butyric acid Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=N2)SCCCC(=O)O)CC3=CSC4=CC=CC=C43

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=N2)SCCCC(=O)O)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C21H20N2O3S2/c1-26-15-8-9-18-17(11-15)22-21(27-10-4-7-20(24)25)23(18)12-14-13-28-19-6-3-2-5-16(14)19/h2-3,5-6,8-9,11,13H,4,7,10,12H2,1H3,(H,24,25)