methyl 6-[[3-(4-methylphenyl)-2-pyridin-2-yl-2-sulfanyl-1H-benzimidazol-5-yl]oxy]hexanoate

Systemtic Name: methyl 6-[[3-(4-methylphenyl)-2-pyridin-2-yl-2-sulfanyl-1H-benzimidazol-5-yl]oxy]hexanoate Openeye Name: methyl 6-[[3-(p-tolyl)-2-(2-pyridyl)-2-sulfanyl-1H-benzimidazol-5-yl]oxy]hexanoate CAS Name: 6-[[2-mercapto-3-(4-methylphenyl)-2-(2-pyridinyl)-1H-benzimidazol-5-yl]oxy]hexanoic acid methyl ester IUPAC Name: methyl 6-[[3-(4-methylphenyl)-2-pyridin-2-yl-2-sulfanyl-1H-benzimidazol-5-yl]oxy]hexanoate Traditional Name: 6-[[2-mercapto-3-(p-tolyl)-2-(2-pyridyl)-1H-benzimidazol-5-yl]oxy]hexanoic acid methyl ester Formula: C26H29N3O3S MolecularWeight: 463.59176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=CC(=C3)OCCCCCC(=O)OC)NC2(C4=CC=CC=N4)S

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=CC(=C3)OCCCCCC(=O)OC)NC2(C4=CC=CC=N4)S

InChI

InChI=1S/C26H29N3O3S/c1-19-10-12-20(13-11-19)29-23-18-21(32-17-7-3-4-9-25(30)31-2)14-15-22(23)28-26(29,33)24-8-5-6-16-27-24/h5-6,8,10-16,18,28,33H,3-4,7,9,17H2,1-2H3