6-[3-(4-methylphenyl)-2-(phenylmethyl)-7-sulfanyl-benzimidazol-5-yl]oxyhexanoic acid

Systemtic Name: 6-[3-(4-methylphenyl)-2-(phenylmethyl)-7-sulfanyl-benzimidazol-5-yl]oxyhexanoic acid Openeye Name: 6-[2-benzyl-3-(p-tolyl)-7-sulfanyl-benzimidazol-5-yl]oxyhexanoic acid CAS Name: 6-[[7-mercapto-3-(4-methylphenyl)-2-(phenylmethyl)-5-benzimidazolyl]oxy]hexanoic acid IUPAC Name: 6-[2-benzyl-3-(4-methylphenyl)-7-sulfanylbenzimidazol-5-yl]oxyhexanoic acid Traditional Name: 6-[2-benzyl-7-mercapto-3-(p-tolyl)benzimidazol-5-yl]oxyhexanoic acid Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=CC(=CC(=C3N=C2CC4=CC=CC=C4)S)OCCCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=CC(=CC(=C3N=C2CC4=CC=CC=C4)S)OCCCCCC(=O)O

InChI

InChI=1S/C27H28N2O3S/c1-19-11-13-21(14-12-19)29-23-17-22(32-15-7-3-6-10-26(30)31)18-24(33)27(23)28-25(29)16-20-8-4-2-5-9-20/h2,4-5,8-9,11-14,17-18,33H,3,6-7,10,15-16H2,1H3,(H,30,31)