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

Systemtic Name: ethyl 2-ethynyl-6-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)pyridine-3-carboxylate Openeye Name: ethyl 2-ethynyl-6-(2,2,4,4-tetramethylthiochroman-6-yl)pyridine-3-carboxylate CAS Name: 2-ethynyl-6-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-ethynyl-6-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)pyridine-3-carboxylate Traditional Name: 2-ethynyl-6-(2,2,4,4-tetramethylthiochroman-6-yl)nicotinic acid ethyl ester Formula: C23H25NO2S MolecularWeight: 379.5151

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1)C2=CC3=C(C=C2)SC(CC3(C)C)(C)C)C#C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1)C2=CC3=C(C=C2)SC(CC3(C)C)(C)C)C#C

InChI

InChI=1S/C23H25NO2S/c1-7-18-16(21(25)26-8-2)10-11-19(24-18)15-9-12-20-17(13-15)22(3,4)14-23(5,6)27-20/h1,9-13H,8,14H2,2-6H3