ethyl 6-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]-5-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]-5-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4,4-diethylthiochroman-6-yl)ethynyl]-5-methyl-pyridine-3-carboxylate CAS Name: 6-[2-(4,4-diethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-5-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]-5-methylpyridine-3-carboxylate Traditional Name: 6-[2-(4,4-diethylthiochroman-6-yl)ethynyl]-5-methyl-nicotinic acid ethyl ester Formula: C24H27NO2S MolecularWeight: 393.54168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=C1C=C(C=C2)C#CC3=C(C=C(C=N3)C(=O)OCC)C)CC

Isomeric SMILES

CCC1(CCSC2=C1C=C(C=C2)C#CC3=C(C=C(C=N3)C(=O)OCC)C)CC

InChI

InChI=1S/C24H27NO2S/c1-5-24(6-2)12-13-28-22-11-9-18(15-20(22)24)8-10-21-17(4)14-19(16-25-21)23(26)27-7-3/h9,11,14-16H,5-7,12-13H2,1-4H3