dimethyl 4-(2-methoxy-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-methoxy-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-methoxy-6-pentadecyl-phenyl)-1,2-dimethyl-6-(6-methyl-2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate CAS Name: 2-(2-mercapto-6-methyl-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-(6-methyl-2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 2-(2-mercapto-6-methyl-2,3-dihydrobenzimidazol-1-yl)-4-(2-methoxy-6-pentadecyl-phenyl)-1,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C41H59N3O5S MolecularWeight: 705.98926

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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=C3C=C(C=C4)C)S)C)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C41H59N3O5S/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-22-30-23-21-24-33(47-5)35(30)36-34(39(45)48-6)29(3)43(4)38(37(36)40(46)49-7)44-32-27-28(2)25-26-31(32)42-41(44)50/h21,23-27,36,41-42,50H,8-20,22H2,1-7H3