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

Systemtic Name: dipropan-2-yl 2-methyl-6-[(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diisopropyl 4-(2-isopropoxy-6-pentadecyl-phenyl)-2-methyl-6-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-6-[(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 2-methyl-6-[(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-isopropoxy-6-pentadecyl-phenyl)-2-methyl-6-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diisopropyl ester Formula: C47H69N3O5S MolecularWeight: 788.13286

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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=C(C=C(C=C4)C)NC3=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=C(C=C(C=C4)C)NC3=S)C)C(=O)OC(C)C

InChI

InChI=1S/C47H69N3O5S/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-24-36-25-23-26-40(53-31(2)3)42(36)44-41(45(51)54-32(4)5)35(9)48-38(43(44)46(52)55-33(6)7)30-50-39-28-27-34(8)29-37(39)49-47(50)56/h23,25-29,31-33,44,48H,10-22,24,30H2,1-9H3,(H,49,56)