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

Systemtic Name: ethynyl 2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)pyridine-3-carboxylate Openeye Name: ethynyl 2-(4,4,7-triethylthiochroman-6-yl)pyridine-3-carboxylate CAS Name: 2-(4,4,7-triethyl-2,3-dihydro-1-benzothiopyran-6-yl)-3-pyridinecarboxylic acid ethynyl ester IUPAC Name: ethynyl 2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)pyridine-3-carboxylate Traditional Name: 2-(4,4,7-triethylthiochroman-6-yl)nicotinic acid ethynyl ester Formula: C23H25NO2S MolecularWeight: 379.5151

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C3=C(C=CC=N3)C(=O)OC#C)C(CCS2)(CC)CC

Isomeric SMILES

CCC1=CC2=C(C=C1C3=C(C=CC=N3)C(=O)OC#C)C(CCS2)(CC)CC

InChI

InChI=1S/C23H25NO2S/c1-5-16-14-20-19(23(6-2,7-3)11-13-27-20)15-18(16)21-17(10-9-12-24-21)22(25)26-8-4/h4,9-10,12,14-15H,5-7,11,13H2,1-3H3