2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-methyl-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)-5-propan-2-yloxycarbonyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-methyl-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)-5-propan-2-yloxycarbonyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-isopropoxycarbonyl-4-(2-isopropoxy-6-pentadecyl-phenyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-6-methyl-5-[oxo(propan-2-yloxy)methyl]-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-methyl-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-5-propan-2-yloxycarbonyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-5-isopropoxycarbonyl-4-(2-isopropoxy-6-pentadecyl-phenyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid Formula: C43H61N3O5S MolecularWeight: 732.02654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC(C)C)C2C(=C(NC(=C2C(=O)O)CSC3=NC4=CC=CC=C4N3)C)C(=O)OC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC(C)C)C2C(=C(NC(=C2C(=O)O)CSC3=NC4=CC=CC=C4N3)C)C(=O)OC(C)C

InChI

InChI=1S/C43H61N3O5S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-32-24-22-27-36(50-29(2)3)38(32)40-37(42(49)51-30(4)5)31(6)44-35(39(40)41(47)48)28-52-43-45-33-25-20-21-26-34(33)46-43/h20-22,24-27,29-30,40,44H,7-19,23,28H2,1-6H3,(H,45,46)(H,47,48)