diethyl 4-(2-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-6-pentadecylphenyl)-2-methyl-6-[(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-ethoxy-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: C44H63N3O5S MolecularWeight: 746.05312

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C44H63N3O5S/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-24-33-25-23-26-37(50-8-2)39(33)41-38(42(48)51-9-3)32(6)45-35(40(41)43(49)52-10-4)30-47-36-28-27-31(5)29-34(36)46-44(47)53/h23,25-29,41,45H,7-22,24,30H2,1-6H3,(H,46,53)