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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(N(C(=C2C(=O)OC)N3C(NC4=C3C=C(C=C4)C)S)C)C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(N(C(=C2C(=O)OC)N3C(NC4=C3C=C(C=C4)C)S)C)C)C(=O)OC

InChI

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