O5-ethyl O3-methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-methyl-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-methyl-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 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 O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 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 O5-ethyl ester O3-methyl ester Formula: C43H61N3O5S MolecularWeight: 732.02654

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C43H61N3O5S/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-24-32-25-23-28-36(51-30(3)4)38(32)40-37(42(48)50-8-2)31(5)44-35(39(40)41(47)49-6)29-52-43-45-33-26-21-22-27-34(33)46-43/h21-23,25-28,30,40,44H,7-20,24,29H2,1-6H3,(H,45,46)