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

Systemtic Name: ethyl 6-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4,4,7-trimethylthiochroman-6-yl)ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-(4,4,7-trimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-(4,4,7-trimethylthiochroman-6-yl)ethynyl]nicotinic acid ethyl ester Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2C)SCCC3(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2C)SCCC3(C)C

InChI

InChI=1S/C22H23NO2S/c1-5-25-21(24)17-7-9-18(23-14-17)8-6-16-13-19-20(12-15(16)2)26-11-10-22(19,3)4/h7,9,12-14H,5,10-11H2,1-4H3