O5-ethyl O3-methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-(2-ethoxy-6-pentadecylphenyl)-6-methylpyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-ethoxy-6-pentadecylphenyl)-6-methylpyridine-3,5-dicarboxylate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C42H57N3O5S MolecularWeight: 715.98408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2=C(C(=NC(=C2C(=O)OC)CSC3=NC4=CC=CC=C4N3)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2=C(C(=NC(=C2C(=O)OC)CSC3=NC4=CC=CC=C4N3)C)C(=O)OCC

InChI

InChI=1S/C42H57N3O5S/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-24-31-25-23-28-35(49-7-2)37(31)39-36(41(47)50-8-3)30(4)43-34(38(39)40(46)48-5)29-51-42-44-32-26-21-22-27-33(32)45-42/h21-23,25-28H,6-20,24,29H2,1-5H3,(H,44,45)