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

Systemtic Name: ethynyl 2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)pyridine-3-carboxylate Openeye Name: ethynyl 2-(4,4-diethyl-7-methyl-thiochroman-6-yl)pyridine-3-carboxylate CAS Name: 2-(4,4-diethyl-7-methyl-2,3-dihydro-1-benzothiopyran-6-yl)-3-pyridinecarboxylic acid ethynyl ester IUPAC Name: ethynyl 2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)pyridine-3-carboxylate Traditional Name: 2-(4,4-diethyl-7-methyl-thiochroman-6-yl)nicotinic acid ethynyl ester Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=C1C=C(C(=C2)C)C3=C(C=CC=N3)C(=O)OC#C)CC

Isomeric SMILES

CCC1(CCSC2=C1C=C(C(=C2)C)C3=C(C=CC=N3)C(=O)OC#C)CC

InChI

InChI=1S/C22H23NO2S/c1-5-22(6-2)10-12-26-19-13-15(4)17(14-18(19)22)20-16(9-8-11-23-20)21(24)25-7-3/h3,8-9,11,13-14H,5-6,10,12H2,1-2,4H3