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

Systemtic Name: dipropan-2-yl 4-(2-ethoxy-6-pentadecyl-phenyl)-2-methyl-6-[(2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diisopropyl 4-(2-ethoxy-6-pentadecyl-phenyl)-2-methyl-6-[(2-thioxo-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-ethoxy-6-pentadecylphenyl)-2-methyl-6-[(2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 4-(2-ethoxy-6-pentadecylphenyl)-2-methyl-6-[(2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-ethoxy-6-pentadecyl-phenyl)-2-methyl-6-[(2-thioxo-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diisopropyl ester Formula: C45H65N3O5S MolecularWeight: 760.0797

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C45H65N3O5S/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-25-34-26-24-29-38(51-9-2)40(34)42-39(43(49)52-31(3)4)33(7)46-36(41(42)44(50)53-32(5)6)30-48-37-28-23-22-27-35(37)47-45(48)54/h22-24,26-29,31-32,42,46H,8-21,25,30H2,1-7H3,(H,47,54)