dimethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-methyl-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-methyl-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-isopropoxy-6-pentadecyl-phenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-6-methyl-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-methyl-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-(2-isopropoxy-6-pentadecyl-phenyl)-6-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)OC(C)C)C2C(=C(NC(=C2C(=O)OC)CSC3=NC4=CC=CC=C4N3)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C42H59N3O5S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-31-24-22-27-35(50-29(2)3)37(31)39-36(40(46)48-5)30(4)43-34(38(39)41(47)49-6)28-51-42-44-32-25-20-21-26-33(32)45-42/h20-22,24-27,29,39,43H,7-19,23,28H2,1-6H3,(H,44,45)