dipropan-2-yl 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: dipropan-2-yl 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: diisopropyl 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 dipropan-2-yl ester IUPAC Name: dipropan-2-yl 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 diisopropyl ester Formula: C46H67N3O5S MolecularWeight: 774.10628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H67N3O5S/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-25-35-26-24-29-39(52-31(2)3)41(35)43-40(44(50)53-32(4)5)34(8)47-37(42(43)45(51)54-33(6)7)30-49-38-28-23-22-27-36(38)48-46(49)55/h22-24,26-29,31-33,43,47H,9-21,25,30H2,1-8H3,(H,48,55)