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

Systemtic Name: diethyl 4-(2-methoxy-6-pentadecyl-phenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C43H61N3O5S MolecularWeight: 732.02654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H61N3O5S/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-23-32-24-22-25-36(49-6)38(32)40-37(41(47)50-8-2)31(5)44-35(39(40)42(48)51-9-3)29-52-43-45-33-27-26-30(4)28-34(33)46-43/h22,24-28,40,44H,7-21,23,29H2,1-6H3,(H,45,46)