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

Systemtic Name: 4-[1-[(4-chloranyl-1-methyl-indol-3-yl)methyl]-5-methoxy-benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-[(4-chloro-1-methyl-indol-3-yl)methyl]-5-methoxy-benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-[(4-chloro-1-methyl-3-indolyl)methyl]-5-methoxy-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-[(4-chloro-1-methylindol-3-yl)methyl]-5-methoxybenzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-[(4-chloro-1-methyl-indol-3-yl)methyl]-5-methoxy-benzimidazol-2-yl]thio]butyric acid Formula: C22H22ClN3O3S MolecularWeight: 443.94638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC=C2Cl)CN3C4=C(C=C(C=C4)OC)N=C3SCCCC(=O)O

Isomeric SMILES

CN1C=C(C2=C1C=CC=C2Cl)CN3C4=C(C=C(C=C4)OC)N=C3SCCCC(=O)O

InChI

InChI=1S/C22H22ClN3O3S/c1-25-12-14(21-16(23)5-3-6-19(21)25)13-26-18-9-8-15(29-2)11-17(18)24-22(26)30-10-4-7-20(27)28/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3,(H,27,28)