ethynyl 4-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-2-ethyl-pyridine-3-carboxylate

Systemtic Name: ethynyl 4-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-2-ethyl-pyridine-3-carboxylate Openeye Name: ethynyl 4-(4,4-dimethylthiochroman-6-yl)-2-ethyl-pyridine-3-carboxylate CAS Name: 4-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-2-ethyl-3-pyridinecarboxylic acid ethynyl ester IUPAC Name: ethynyl 4-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-2-ethylpyridine-3-carboxylate Traditional Name: 4-(4,4-dimethylthiochroman-6-yl)-2-ethyl-nicotinic acid ethynyl ester Formula: C21H21NO2S MolecularWeight: 351.46194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CC(=C1C(=O)OC#C)C2=CC3=C(C=C2)SCCC3(C)C

Isomeric SMILES

CCC1=NC=CC(=C1C(=O)OC#C)C2=CC3=C(C=C2)SCCC3(C)C

InChI

InChI=1S/C21H21NO2S/c1-5-17-19(20(23)24-6-2)15(9-11-22-17)14-7-8-18-16(13-14)21(3,4)10-12-25-18/h2,7-9,11,13H,5,10,12H2,1,3-4H3