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

Systemtic Name: 4-[5-methoxy-1-[(5-methyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[5-methoxy-1-[(5-methylbenzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[5-methoxy-1-[(5-methyl-1-benzothiophen-3-yl)methyl]-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[5-methoxy-1-[(5-methyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[5-methoxy-1-[(5-methylbenzothiophen-3-yl)methyl]benzimidazol-2-yl]thio]butyric acid Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC=C2CN3C4=C(C=C(C=C4)OC)N=C3SCCCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SC=C2CN3C4=C(C=C(C=C4)OC)N=C3SCCCC(=O)O

InChI

InChI=1S/C22H22N2O3S2/c1-14-5-8-20-17(10-14)15(13-29-20)12-24-19-7-6-16(27-2)11-18(19)23-22(24)28-9-3-4-21(25)26/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,25,26)