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

Systemtic Name: dimethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C41H55N3O5S MolecularWeight: 701.9575

Click to see the large picture

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C41H55N3O5S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-23-30-24-22-27-34(49-7-2)36(30)38-35(39(45)47-4)29(3)42-33(37(38)40(46)48-5)28-50-41-43-31-25-20-21-26-32(31)44-41/h20-22,24-27H,6-19,23,28H2,1-5H3,(H,43,44)