4-[1-[(4,6-dimethyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[1-[(4,6-dimethyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-[(4,6-dimethylbenzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-[(4,6-dimethyl-1-benzothiophen-3-yl)methyl]-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-[(4,6-dimethyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-[(4,6-dimethylbenzothiophen-3-yl)methyl]benzimidazol-2-yl]thio]butyric acid Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC=C2CN3C4=CC=CC=C4N=C3SCCCC(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC=C2CN3C4=CC=CC=C4N=C3SCCCC(=O)O)C

InChI

InChI=1S/C22H22N2O2S2/c1-14-10-15(2)21-16(13-28-19(21)11-14)12-24-18-7-4-3-6-17(18)23-22(24)27-9-5-8-20(25)26/h3-4,6-7,10-11,13H,5,8-9,12H2,1-2H3,(H,25,26)