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

Systemtic Name: 4-[1-[(5-chloranyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-[(5-chlorobenzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-[(5-chlorobenzothiophen-3-yl)methyl]benzimidazol-2-yl]thio]butyric acid Formula: C20H17ClN2O2S2 MolecularWeight: 416.94418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CC3=CSC4=C3C=C(C=C4)Cl)SCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CC3=CSC4=C3C=C(C=C4)Cl)SCCCC(=O)O

InChI

InChI=1S/C20H17ClN2O2S2/c21-14-7-8-18-15(10-14)13(12-27-18)11-23-17-5-2-1-4-16(17)22-20(23)26-9-3-6-19(24)25/h1-2,4-5,7-8,10,12H,3,6,9,11H2,(H,24,25)