diethyl 4-(2-methoxy-6-pentadecyl-phenyl)-1,2-dimethyl-6-(2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(2-methoxy-6-pentadecyl-phenyl)-1,2-dimethyl-6-(2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(2-methoxy-6-pentadecyl-phenyl)-1,2-dimethyl-6-(2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate CAS Name: 2-(2-mercapto-2,3-dihydrobenzimidazol-1-yl)-4-(2-methoxy-6-pentadecylphenyl)-1,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-methoxy-6-pentadecylphenyl)-1,2-dimethyl-6-(2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 2-(2-mercapto-2,3-dihydrobenzimidazol-1-yl)-4-(2-methoxy-6-pentadecyl-phenyl)-1,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C42H61N3O5S MolecularWeight: 720.01584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC)C2C(=C(N(C(=C2C(=O)OCC)N3C(NC4=CC=CC=C43)S)C)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC)C2C(=C(N(C(=C2C(=O)OCC)N3C(NC4=CC=CC=C43)S)C)C)C(=O)OCC

InChI

InChI=1S/C42H61N3O5S/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-25-31-26-24-29-34(48-6)36(31)37-35(40(46)49-8-2)30(4)44(5)39(38(37)41(47)50-9-3)45-33-28-23-22-27-32(33)43-42(45)51/h22-24,26-29,37,42-43,51H,7-21,25H2,1-6H3