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

Systemtic Name: dimethyl 4-(2-methoxy-6-pentadecyl-phenyl)-1,2-dimethyl-6-(2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C40H57N3O5S MolecularWeight: 691.96268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H57N3O5S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-29-24-22-27-32(46-4)34(29)35-33(38(44)47-5)28(2)42(3)37(36(35)39(45)48-6)43-31-26-21-20-25-30(31)41-40(43)49/h20-22,24-27,35,40-41,49H,7-19,23H2,1-6H3