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

Systemtic Name: 4-[1-[(5-methyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-[(5-methylbenzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-[(5-methyl-1-benzothiophen-3-yl)methyl]-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-[(5-methyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-[(5-methylbenzothiophen-3-yl)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)SC=C2CN3C4=CC=CC=C4N=C3SCCCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SC=C2CN3C4=CC=CC=C4N=C3SCCCC(=O)O

InChI

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