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

Systemtic Name: diethyl 4-(2-hexadecyl-6-methoxy-phenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(2-hexadecyl-6-methoxy-phenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-hexadecyl-6-methoxyphenyl)-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-hexadecyl-6-methoxyphenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-cetyl-6-methoxy-phenyl)-2-methyl-6-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C44H63N3O5S MolecularWeight: 746.05312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=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

CCCCCCCCCCCCCCCCC1=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/C44H63N3O5S/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-24-33-25-23-26-37(50-6)39(33)41-38(42(48)51-8-2)32(5)45-36(40(41)43(49)52-9-3)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)