methyl 6-[3-(4-methylphenyl)-2-propylsulfanyl-benzimidazol-5-yl]oxyhexanoate

Systemtic Name: methyl 6-[3-(4-methylphenyl)-2-propylsulfanyl-benzimidazol-5-yl]oxyhexanoate Openeye Name: methyl 6-[2-propylsulfanyl-3-(p-tolyl)benzimidazol-5-yl]oxyhexanoate CAS Name: 6-[[3-(4-methylphenyl)-2-(propylthio)-5-benzimidazolyl]oxy]hexanoic acid methyl ester IUPAC Name: methyl 6-[3-(4-methylphenyl)-2-propylsulfanylbenzimidazol-5-yl]oxyhexanoate Traditional Name: 6-[2-(propylthio)-3-(p-tolyl)benzimidazol-5-yl]oxyhexanoic acid methyl ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1C3=CC=C(C=C3)C)C=C(C=C2)OCCCCCC(=O)OC

Isomeric SMILES

CCCSC1=NC2=C(N1C3=CC=C(C=C3)C)C=C(C=C2)OCCCCCC(=O)OC

InChI

InChI=1S/C24H30N2O3S/c1-4-16-30-24-25-21-14-13-20(29-15-7-5-6-8-23(27)28-3)17-22(21)26(24)19-11-9-18(2)10-12-19/h9-14,17H,4-8,15-16H2,1-3H3