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

Systemtic Name: ethyl 6-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4,4-diethylthiochroman-6-yl)ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-(4,4-diethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-(4,4-diethylthiochroman-6-yl)ethynyl]nicotinic acid ethyl ester Formula: C23H25NO2S MolecularWeight: 379.5151

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)C(=O)OCC)CC

Isomeric SMILES

CCC1(CCSC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)C(=O)OCC)CC

InChI

InChI=1S/C23H25NO2S/c1-4-23(5-2)13-14-27-21-12-8-17(15-20(21)23)7-10-19-11-9-18(16-24-19)22(25)26-6-3/h8-9,11-12,15-16H,4-6,13-14H2,1-3H3