dimethyl 4-(2-ethoxy-6-pentadecyl-phenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(2-ethoxy-6-pentadecyl-phenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(2-ethoxy-6-pentadecyl-phenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-ethoxy-6-pentadecylphenyl)-2-methyl-6-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(2-ethoxy-6-pentadecylphenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-ethoxy-6-pentadecyl-phenyl)-2-methyl-6-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C42H59N3O5S MolecularWeight: 717.99996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=C2C(=O)OC)CSC3=NC4=C(N3)C=C(C=C4)C)C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=C2C(=O)OC)CSC3=NC4=C(N3)C=C(C=C4)C)C)C(=O)OC

InChI

InChI=1S/C42H59N3O5S/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-22-31-23-21-24-35(50-8-2)37(31)39-36(40(46)48-5)30(4)43-34(38(39)41(47)49-6)28-51-42-44-32-26-25-29(3)27-33(32)45-42/h21,23-27,39,43H,7-20,22,28H2,1-6H3,(H,44,45)