O3-ethyl O5-propan-2-yl 4-(2-hexadecyl-6-propan-2-yloxy-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-hexadecyl-6-propan-2-yloxy-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-hexadecyl-6-isopropoxy-phenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-hexadecyl-6-propan-2-yloxyphenyl)-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-hexadecyl-6-propan-2-yloxyphenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-cetyl-6-isopropoxy-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: C47H69N3O5S MolecularWeight: 788.13286

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C47H69N3O5S/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-25-36-26-24-27-40(54-32(3)4)42(36)44-41(45(51)53-10-2)35(8)48-39(43(44)46(52)55-33(5)6)31-56-47-49-37-29-28-34(7)30-38(37)50-47/h24,26-30,32-33,44,48H,9-23,25,31H2,1-8H3,(H,49,50)