ethynyl 2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)pyridine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(SC2=C1C=C(C=C2)C3=C(C=CC=N3)C(=O)OC#C)(C)C)C

Isomeric SMILES

CC1(CC(SC2=C1C=C(C=C2)C3=C(C=CC=N3)C(=O)OC#C)(C)C)C

InChI

InChI=1S/C21H21NO2S/c1-6-24-19(23)15-8-7-11-22-18(15)14-9-10-17-16(12-14)20(2,3)13-21(4,5)25-17/h1,7-12H,13H2,2-5H3