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

Systemtic Name: ethynyl 2-ethyl-6-(2,2,4,4-tetramethyl-3H-thiochromen-7-yl)pyridine-3-carboxylate Openeye Name: ethynyl 2-ethyl-6-(2,2,4,4-tetramethylthiochroman-7-yl)pyridine-3-carboxylate CAS Name: 2-ethyl-6-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-7-yl)-3-pyridinecarboxylic acid ethynyl ester IUPAC Name: ethynyl 2-ethyl-6-(2,2,4,4-tetramethyl-3H-thiochromen-7-yl)pyridine-3-carboxylate Traditional Name: 2-ethyl-6-(2,2,4,4-tetramethylthiochroman-7-yl)nicotinic acid ethynyl ester Formula: C23H25NO2S MolecularWeight: 379.5151

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=N1)C2=CC3=C(C=C2)C(CC(S3)(C)C)(C)C)C(=O)OC#C

Isomeric SMILES

CCC1=C(C=CC(=N1)C2=CC3=C(C=C2)C(CC(S3)(C)C)(C)C)C(=O)OC#C

InChI

InChI=1S/C23H25NO2S/c1-7-18-16(21(25)26-8-2)10-12-19(24-18)15-9-11-17-20(13-15)27-23(5,6)14-22(17,3)4/h2,9-13H,7,14H2,1,3-6H3