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

Systemtic Name: dimethyl 4-(2-methoxy-6-pentadecyl-phenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(2-methoxy-6-pentadecyl-phenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-methoxy-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-methoxy-6-pentadecylphenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-methoxy-6-pentadecyl-phenyl)-2-methyl-6-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C41H57N3O5S MolecularWeight: 703.97338

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C41H57N3O5S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21-30-22-20-23-34(47-4)36(30)38-35(39(45)48-5)29(3)42-33(37(38)40(46)49-6)27-50-41-43-31-25-24-28(2)26-32(31)44-41/h20,22-26,38,42H,7-19,21,27H2,1-6H3,(H,43,44)