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

Systemtic Name: 4-[1-(1-benzothiophen-3-ylmethyl)-5,6-bis(chloranyl)benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-(benzothiophen-3-ylmethyl)-5,6-dichloro-benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-(1-benzothiophen-3-ylmethyl)-5,6-dichloro-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-(1-benzothiophen-3-ylmethyl)-5,6-dichlorobenzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-(benzothiophen-3-ylmethyl)-5,6-dichloro-benzimidazol-2-yl]thio]butyric acid Formula: C20H16Cl2N2O2S2 MolecularWeight: 451.38924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)CN3C4=CC(=C(C=C4N=C3SCCCC(=O)O)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)CN3C4=CC(=C(C=C4N=C3SCCCC(=O)O)Cl)Cl

InChI

InChI=1S/C20H16Cl2N2O2S2/c21-14-8-16-17(9-15(14)22)24(20(23-16)27-7-3-6-19(25)26)10-12-11-28-18-5-2-1-4-13(12)18/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,25,26)