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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1)C2=CC3=C(C=C2)SCCC3(C)C)C#C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1)C2=CC3=C(C=C2)SCCC3(C)C)C#C

InChI

InChI=1S/C21H21NO2S/c1-5-17-15(20(23)24-6-2)8-9-18(22-17)14-7-10-19-16(13-14)21(3,4)11-12-25-19/h1,7-10,13H,6,11-12H2,2-4H3