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

Systemtic Name: 2-[1-[(4-methyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 2-[1-[(4-methylbenzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 2-[[1-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 2-[1-[(4-methyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 2-[[1-[(4-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:

CCC(C(=O)O)SC1=NC2=CC=CC=C2N1CC3=CSC4=CC=CC(=C43)C

Isomeric SMILES

CCC(C(=O)O)SC1=NC2=CC=CC=C2N1CC3=CSC4=CC=CC(=C43)C

InChI

InChI=1S/C21H20N2O2S2/c1-3-17(20(24)25)27-21-22-15-8-4-5-9-16(15)23(21)11-14-12-26-18-10-6-7-13(2)19(14)18/h4-10,12,17H,3,11H2,1-2H3,(H,24,25)