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

Systemtic Name: diethyl 4-(2-ethoxy-6-pentadecyl-phenyl)-2-methyl-6-[(2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(2-ethoxy-6-pentadecyl-phenyl)-2-methyl-6-[(2-thioxo-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-ethoxy-6-pentadecylphenyl)-2-methyl-6-[(2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-ethoxy-6-pentadecylphenyl)-2-methyl-6-[(2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-ethoxy-6-pentadecyl-phenyl)-2-methyl-6-[(2-thioxo-3H-benzimidazol-1-yl)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)OCC)C2C(=C(NC(=C2C(=O)OCC)CN3C4=CC=CC=C4NC3=S)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=C2C(=O)OCC)CN3C4=CC=CC=C4NC3=S)C)C(=O)OCC

InChI

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