6-[2-(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)ethynyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[2-(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)ethynyl]pyridine-3-carboxylic acid Openeye Name: 6-[2-(2,2,4,4,7-pentamethylthiochroman-6-yl)ethynyl]pyridine-3-carboxylic acid CAS Name: 6-[2-(2,2,4,4,7-pentamethyl-3H-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)ethynyl]pyridine-3-carboxylic acid Traditional Name: 6-[2-(2,2,4,4,7-pentamethylthiochroman-6-yl)ethynyl]nicotinic acid Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C#CC3=NC=C(C=C3)C(=O)O)C(CC(S2)(C)C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C#CC3=NC=C(C=C3)C(=O)O)C(CC(S2)(C)C)(C)C

InChI

InChI=1S/C22H23NO2S/c1-14-10-19-18(21(2,3)13-22(4,5)26-19)11-15(14)6-8-17-9-7-16(12-23-17)20(24)25/h7,9-12H,13H2,1-5H3,(H,24,25)