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

Systemtic Name: dimethyl 4-(2-methoxy-6-pentadecyl-phenyl)-2-methyl-6-[(2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(2-methoxy-6-pentadecyl-phenyl)-2-methyl-6-[(2-thioxo-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-methoxy-6-pentadecylphenyl)-2-methyl-6-[(2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(2-methoxy-6-pentadecylphenyl)-2-methyl-6-[(2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-methoxy-6-pentadecyl-phenyl)-2-methyl-6-[(2-thioxo-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C40H55N3O5S MolecularWeight: 689.9468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H55N3O5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-23-21-26-33(46-3)35(29)37-34(38(44)47-4)28(2)41-31(36(37)39(45)48-5)27-43-32-25-20-19-24-30(32)42-40(43)49/h19-21,23-26,37,41H,6-18,22,27H2,1-5H3,(H,42,49)