ethynyl 2-(4,4-diethyl-7-propyl-2,3-dihydrothiochromen-6-yl)pyridine-3-carboxylate

Systemtic Name: ethynyl 2-(4,4-diethyl-7-propyl-2,3-dihydrothiochromen-6-yl)pyridine-3-carboxylate Openeye Name: ethynyl 2-(4,4-diethyl-7-propyl-thiochroman-6-yl)pyridine-3-carboxylate CAS Name: 2-(4,4-diethyl-7-propyl-2,3-dihydro-1-benzothiopyran-6-yl)-3-pyridinecarboxylic acid ethynyl ester IUPAC Name: ethynyl 2-(4,4-diethyl-7-propyl-2,3-dihydrothiochromen-6-yl)pyridine-3-carboxylate Traditional Name: 2-(4,4-diethyl-7-propyl-thiochroman-6-yl)nicotinic acid ethynyl ester Formula: C24H27NO2S MolecularWeight: 393.54168

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1C3=C(C=CC=N3)C(=O)OC#C)C(CCS2)(CC)CC

Isomeric SMILES

CCCC1=CC2=C(C=C1C3=C(C=CC=N3)C(=O)OC#C)C(CCS2)(CC)CC

InChI

InChI=1S/C24H27NO2S/c1-5-10-17-15-21-20(24(6-2,7-3)12-14-28-21)16-19(17)22-18(11-9-13-25-22)23(26)27-8-4/h4,9,11,13,15-16H,5-7,10,12,14H2,1-3H3