dimethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-(2-methoxy-6-pentadecylphenyl)-6-methylpyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-methoxy-6-pentadecylphenyl)-6-methylpyridine-3,5-dicarboxylate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C40H53N3O5S MolecularWeight: 687.93092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H53N3O5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-23-21-26-33(46-3)35(29)37-34(38(44)47-4)28(2)41-32(36(37)39(45)48-5)27-49-40-42-30-24-19-20-25-31(30)43-40/h19-21,23-26H,6-18,22,27H2,1-5H3,(H,42,43)