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

Systemtic Name: diethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C43H59N3O5S MolecularWeight: 730.01066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H59N3O5S/c1-6-10-11-12-13-14-15-16-17-18-19-20-21-25-32-26-24-29-36(49-7-2)38(32)40-37(41(47)50-8-3)31(5)44-35(39(40)42(48)51-9-4)30-52-43-45-33-27-22-23-28-34(33)46-43/h22-24,26-29H,6-21,25,30H2,1-5H3,(H,45,46)