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

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

Isomeric SMILES

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

InChI

InChI=1S/C44H63N3O5S/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-25-33-26-24-29-37(52-31(4)5)39(33)41-38(42(48)50-8-2)32(6)45-35(40(41)43(49)51-9-3)30-47-36-28-23-22-27-34(36)46-44(47)53/h22-24,26-29,31,41,45H,7-21,25,30H2,1-6H3,(H,46,53)