O3-ethyl O5-propan-2-yl 4-(2-ethoxy-6-hexadecyl-phenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-propan-2-yl 4-(2-ethoxy-6-hexadecyl-phenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-isopropyl 4-(2-ethoxy-6-hexadecyl-phenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-ethoxy-6-hexadecylphenyl)-2-methyl-6-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-propan-2-yl ester IUPAC Name: 3-O-ethyl 5-O-propan-2-yl 4-(2-ethoxy-6-hexadecylphenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-cetyl-6-ethoxy-phenyl)-2-methyl-6-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-isopropyl ester Formula: C46H67N3O5S MolecularWeight: 774.10628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=C2C(=O)OC(C)C)CSC3=NC4=C(N3)C=C(C=C4)C)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=C2C(=O)OC(C)C)CSC3=NC4=C(N3)C=C(C=C4)C)C)C(=O)OCC

InChI

InChI=1S/C46H67N3O5S/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-23-25-35-26-24-27-39(52-9-2)41(35)43-40(44(50)53-10-3)34(7)47-38(42(43)45(51)54-32(4)5)31-55-46-48-36-29-28-33(6)30-37(36)49-46/h24,26-30,32,43,47H,8-23,25,31H2,1-7H3,(H,48,49)