4-[1-(1-benzothiophen-3-ylmethyl)-5,6-dimethyl-benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[1-(1-benzothiophen-3-ylmethyl)-5,6-dimethyl-benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-(benzothiophen-3-ylmethyl)-5,6-dimethyl-benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-(1-benzothiophen-3-ylmethyl)-5,6-dimethyl-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-(1-benzothiophen-3-ylmethyl)-5,6-dimethylbenzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-(benzothiophen-3-ylmethyl)-5,6-dimethyl-benzimidazol-2-yl]thio]butyric acid Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)SCCCC(=O)O)CC3=CSC4=CC=CC=C43

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)SCCCC(=O)O)CC3=CSC4=CC=CC=C43

InChI

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