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

Systemtic Name: 6-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyridine-3-carboxylic acid Openeye Name: 6-[2-(2,2,4,4-tetramethylthiochroman-6-yl)ethynyl]pyridine-3-carboxylic acid CAS Name: 6-[2-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyridine-3-carboxylic acid Traditional Name: 6-[2-(2,2,4,4-tetramethylthiochroman-6-yl)ethynyl]nicotinic acid Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(SC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CC(SC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)C(=O)O)(C)C)C

InChI

InChI=1S/C21H21NO2S/c1-20(2)13-21(3,4)25-18-10-6-14(11-17(18)20)5-8-16-9-7-15(12-22-16)19(23)24/h6-7,9-12H,13H2,1-4H3,(H,23,24)