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

Systemtic Name: diethyl 2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(2-isopropoxy-6-pentadecyl-phenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-6-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-isopropoxy-6-pentadecyl-phenyl)-2-methyl-6-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C45H65N3O5S MolecularWeight: 760.0797

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C45H65N3O5S/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-24-34-25-23-26-38(53-31(4)5)40(34)42-39(43(49)51-9-2)33(7)46-37(41(42)44(50)52-10-3)30-54-45-47-35-28-27-32(6)29-36(35)48-45/h23,25-29,31,42,46H,8-22,24,30H2,1-7H3,(H,47,48)