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

Systemtic Name: ethyl 6-[2-(4,4-dibutyl-2,3-dihydrothiochromen-6-yl)ethynyl]-5-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4,4-dibutylthiochroman-6-yl)ethynyl]-5-methyl-pyridine-3-carboxylate CAS Name: 6-[2-(4,4-dibutyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-5-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4,4-dibutyl-2,3-dihydrothiochromen-6-yl)ethynyl]-5-methylpyridine-3-carboxylate Traditional Name: 6-[2-(4,4-dibutylthiochroman-6-yl)ethynyl]-5-methyl-nicotinic acid ethyl ester Formula: C28H35NO2S MolecularWeight: 449.648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCSC2=C1C=C(C=C2)C#CC3=C(C=C(C=N3)C(=O)OCC)C)CCCC

Isomeric SMILES

CCCCC1(CCSC2=C1C=C(C=C2)C#CC3=C(C=C(C=N3)C(=O)OCC)C)CCCC

InChI

InChI=1S/C28H35NO2S/c1-5-8-14-28(15-9-6-2)16-17-32-26-13-11-22(19-24(26)28)10-12-25-21(4)18-23(20-29-25)27(30)31-7-3/h11,13,18-20H,5-9,14-17H2,1-4H3