O3-ethyl O5-methyl 4-(2-ethoxy-6-hexadecyl-phenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-methyl 4-(2-ethoxy-6-hexadecyl-phenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 4-(2-ethoxy-6-hexadecyl-phenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-ethoxy-6-hexadecylphenyl)-2-methyl-6-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl 4-(2-ethoxy-6-hexadecylphenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-cetyl-6-ethoxy-phenyl)-2-methyl-6-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C44H63N3O5S MolecularWeight: 746.05312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=C2C(=O)OC)CSC3=NC4=C(N3)C=C(C=C4)C)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=C2C(=O)OC)CSC3=NC4=C(N3)C=C(C=C4)C)C)C(=O)OCC

InChI

InChI=1S/C44H63N3O5S/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-24-33-25-23-26-37(51-8-2)39(33)41-38(43(49)52-9-3)32(5)45-36(40(41)42(48)50-6)30-53-44-46-34-28-27-31(4)29-35(34)47-44/h23,25-29,41,45H,7-22,24,30H2,1-6H3,(H,46,47)