ethynyl 2-(3,4-dihydro-2H-thiochromen-6-yl)-4,5-dimethyl-pyridine-3-carboxylate

Systemtic Name: ethynyl 2-(3,4-dihydro-2H-thiochromen-6-yl)-4,5-dimethyl-pyridine-3-carboxylate Openeye Name: ethynyl 4,5-dimethyl-2-thiochroman-6-yl-pyridine-3-carboxylate CAS Name: 2-(3,4-dihydro-2H-1-benzothiopyran-6-yl)-4,5-dimethyl-3-pyridinecarboxylic acid ethynyl ester IUPAC Name: ethynyl 2-(3,4-dihydro-2H-thiochromen-6-yl)-4,5-dimethylpyridine-3-carboxylate Traditional Name: 4,5-dimethyl-2-thiochroman-6-yl-nicotinic acid ethynyl ester Formula: C19H17NO2S MolecularWeight: 323.40878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1C)C(=O)OC#C)C2=CC3=C(C=C2)SCCC3

Isomeric SMILES

CC1=CN=C(C(=C1C)C(=O)OC#C)C2=CC3=C(C=C2)SCCC3

InChI

InChI=1S/C19H17NO2S/c1-4-22-19(21)17-13(3)12(2)11-20-18(17)15-7-8-16-14(10-15)6-5-9-23-16/h1,7-8,10-11H,5-6,9H2,2-3H3