diethyl 4-(2-methoxy-6-pentadecyl-phenyl)-2-methyl-6-[(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-[(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-[(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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C42H59N3O5S MolecularWeight: 717.99996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H59N3O5S/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-24-31-25-23-28-35(48-5)37(31)39-36(40(46)49-7-2)30(4)43-33(38(39)41(47)50-8-3)29-45-34-27-22-21-26-32(34)44-42(45)51/h21-23,25-28,39,43H,6-20,24,29H2,1-5H3,(H,44,51)