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

Systemtic Name: diethyl 4-(2-methoxy-6-pentadecyl-phenyl)-2-methyl-6-[(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(2-methoxy-6-pentadecyl-phenyl)-2-methyl-6-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-methoxy-6-pentadecylphenyl)-2-methyl-6-[(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-methoxy-6-pentadecylphenyl)-2-methyl-6-[(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-methoxy-6-pentadecyl-phenyl)-2-methyl-6-[(5-methyl-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)OC)C2C(=C(NC(=C2C(=O)OCC)CN3C4=C(C=C(C=C4)C)NC3=S)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC)C2C(=C(NC(=C2C(=O)OCC)CN3C4=C(C=C(C=C4)C)NC3=S)C)C(=O)OCC

InChI

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