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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=C1C=C(C(=C2)C)C#CC3=NC=C(C=C3)C(=O)OCC)CC

Isomeric SMILES

CCC1(CCSC2=C1C=C(C(=C2)C)C#CC3=NC=C(C=C3)C(=O)OCC)CC

InChI

InChI=1S/C24H27NO2S/c1-5-24(6-2)12-13-28-22-14-17(4)18(15-21(22)24)8-10-20-11-9-19(16-25-20)23(26)27-7-3/h9,11,14-16H,5-7,12-13H2,1-4H3