4-[1-[(7-chloranyl-4-methyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[1-[(7-chloranyl-4-methyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-[(7-chloro-4-methyl-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-[(7-chloro-4-methyl-1-benzothiophen-3-yl)methyl]-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-[(7-chloro-4-methyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-[(7-chloro-4-methyl-benzothiophen-3-yl)methyl]benzimidazol-2-yl]thio]butyric acid Formula: C21H19ClN2O2S2 MolecularWeight: 430.97076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CSC2=C(C=C1)Cl)CN3C4=CC=CC=C4N=C3SCCCC(=O)O

Isomeric SMILES

CC1=C2C(=CSC2=C(C=C1)Cl)CN3C4=CC=CC=C4N=C3SCCCC(=O)O

InChI

InChI=1S/C21H19ClN2O2S2/c1-13-8-9-15(22)20-19(13)14(12-28-20)11-24-17-6-3-2-5-16(17)23-21(24)27-10-4-7-18(25)26/h2-3,5-6,8-9,12H,4,7,10-11H2,1H3,(H,25,26)