ethynyl 2-(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)pyridine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C3=C(C=CC=N3)C(=O)OC#C)C(CC(S2)(C)C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C3=C(C=CC=N3)C(=O)OC#C)C(CC(S2)(C)C)(C)C

InChI

InChI=1S/C22H23NO2S/c1-7-25-20(24)15-9-8-10-23-19(15)16-12-17-18(11-14(16)2)26-22(5,6)13-21(17,3)4/h1,8-12H,13H2,2-6H3