6-[2-(4,4-dipropyl-2,3-dihydrothiochromen-6-yl)ethynyl]-5-methyl-pyridine-3-carboxylic acid

Systemtic Name: 6-[2-(4,4-dipropyl-2,3-dihydrothiochromen-6-yl)ethynyl]-5-methyl-pyridine-3-carboxylic acid Openeye Name: 6-[2-(4,4-dipropylthiochroman-6-yl)ethynyl]-5-methyl-pyridine-3-carboxylic acid CAS Name: 6-[2-(4,4-dipropyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-5-methyl-3-pyridinecarboxylic acid IUPAC Name: 6-[2-(4,4-dipropyl-2,3-dihydrothiochromen-6-yl)ethynyl]-5-methylpyridine-3-carboxylic acid Traditional Name: 6-[2-(4,4-dipropylthiochroman-6-yl)ethynyl]-5-methyl-nicotinic acid Formula: C24H27NO2S MolecularWeight: 393.54168

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCSC2=C1C=C(C=C2)C#CC3=C(C=C(C=N3)C(=O)O)C)CCC

Isomeric SMILES

CCCC1(CCSC2=C1C=C(C=C2)C#CC3=C(C=C(C=N3)C(=O)O)C)CCC

InChI

InChI=1S/C24H27NO2S/c1-4-10-24(11-5-2)12-13-28-22-9-7-18(15-20(22)24)6-8-21-17(3)14-19(16-25-21)23(26)27/h7,9,14-16H,4-5,10-13H2,1-3H3,(H,26,27)