ethynyl 6-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)-2-ethyl-pyridine-3-carboxylate

Systemtic Name: ethynyl 6-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)-2-ethyl-pyridine-3-carboxylate Openeye Name: ethynyl 6-(4,4-dimethylthiochroman-7-yl)-2-ethyl-pyridine-3-carboxylate CAS Name: 6-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-7-yl)-2-ethyl-3-pyridinecarboxylic acid ethynyl ester IUPAC Name: ethynyl 6-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)-2-ethylpyridine-3-carboxylate Traditional Name: 6-(4,4-dimethylthiochroman-7-yl)-2-ethyl-nicotinic acid ethynyl ester Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=N1)C2=CC3=C(C=C2)C(CCS3)(C)C)C(=O)OC#C

Isomeric SMILES

CCC1=C(C=CC(=N1)C2=CC3=C(C=C2)C(CCS3)(C)C)C(=O)OC#C

InChI

InChI=1S/C21H21NO2S/c1-5-17-15(20(23)24-6-2)8-10-18(22-17)14-7-9-16-19(13-14)25-12-11-21(16,3)4/h2,7-10,13H,5,11-12H2,1,3-4H3