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

Systemtic Name: ethyl 6-[2-(4,4-dipropyl-2,3-dihydrothiochromen-6-yl)ethynyl]-5-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4,4-dipropylthiochroman-6-yl)ethynyl]-5-methyl-pyridine-3-carboxylate CAS Name: 6-[2-(4,4-dipropyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-5-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4,4-dipropyl-2,3-dihydrothiochromen-6-yl)ethynyl]-5-methylpyridine-3-carboxylate Traditional Name: 6-[2-(4,4-dipropylthiochroman-6-yl)ethynyl]-5-methyl-nicotinic acid ethyl ester Formula: C26H31NO2S MolecularWeight: 421.59484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCSC2=C1C=C(C=C2)C#CC3=C(C=C(C=N3)C(=O)OCC)C)CCC

Isomeric SMILES

CCCC1(CCSC2=C1C=C(C=C2)C#CC3=C(C=C(C=N3)C(=O)OCC)C)CCC

InChI

InChI=1S/C26H31NO2S/c1-5-12-26(13-6-2)14-15-30-24-11-9-20(17-22(24)26)8-10-23-19(4)16-21(18-27-23)25(28)29-7-3/h9,11,16-18H,5-7,12-15H2,1-4H3