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

Systemtic Name: 6-[3-(4-methylphenyl)-2-propyl-7-sulfanyl-benzimidazol-5-yl]oxyhexanoic acid Openeye Name: 6-[2-propyl-3-(p-tolyl)-7-sulfanyl-benzimidazol-5-yl]oxyhexanoic acid CAS Name: 6-[[7-mercapto-3-(4-methylphenyl)-2-propyl-5-benzimidazolyl]oxy]hexanoic acid IUPAC Name: 6-[3-(4-methylphenyl)-2-propyl-7-sulfanylbenzimidazol-5-yl]oxyhexanoic acid Traditional Name: 6-[7-mercapto-2-propyl-3-(p-tolyl)benzimidazol-5-yl]oxyhexanoic acid Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2N1C3=CC=C(C=C3)C)OCCCCCC(=O)O)S

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2N1C3=CC=C(C=C3)C)OCCCCCC(=O)O)S

InChI

InChI=1S/C23H28N2O3S/c1-3-7-21-24-23-19(25(21)17-11-9-16(2)10-12-17)14-18(15-20(23)29)28-13-6-4-5-8-22(26)27/h9-12,14-15,29H,3-8,13H2,1-2H3,(H,26,27)