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

Systemtic Name: methyl 6-[3-(4-methylphenyl)-2-(phenylmethylsulfanyl)benzimidazol-5-yl]oxyhexanoate Openeye Name: methyl 6-[2-benzylsulfanyl-3-(p-tolyl)benzimidazol-5-yl]oxyhexanoate CAS Name: 6-[[3-(4-methylphenyl)-2-(phenylmethylthio)-5-benzimidazolyl]oxy]hexanoic acid methyl ester IUPAC Name: methyl 6-[2-benzylsulfanyl-3-(4-methylphenyl)benzimidazol-5-yl]oxyhexanoate Traditional Name: 6-[2-(benzylthio)-3-(p-tolyl)benzimidazol-5-yl]oxyhexanoic acid methyl ester Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=CC(=C3)OCCCCCC(=O)OC)N=C2SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=CC(=C3)OCCCCCC(=O)OC)N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O3S/c1-21-12-14-23(15-13-21)30-26-19-24(33-18-8-4-7-11-27(31)32-2)16-17-25(26)29-28(30)34-20-22-9-5-3-6-10-22/h3,5-6,9-10,12-17,19H,4,7-8,11,18,20H2,1-2H3