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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)C(CCS3)(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)C(CCS3)(C)C

InChI

InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-18-19(13-15)25-12-11-21(18,2)3/h6-7,9-10,13-14H,4,11-12H2,1-3H3