ethyl 6-[2-(4-ethyl-3,4-dihydro-2H-thiochromen-6-yl)ethynyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-(4-ethyl-3,4-dihydro-2H-thiochromen-6-yl)ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4-ethylthiochroman-6-yl)ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-(4-ethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4-ethyl-3,4-dihydro-2H-thiochromen-6-yl)ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-(4-ethylthiochroman-6-yl)ethynyl]nicotinic acid ethyl ester Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCSC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCC1CCSC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C21H21NO2S/c1-3-16-11-12-25-20-10-6-15(13-19(16)20)5-8-18-9-7-17(14-22-18)21(23)24-4-2/h6-7,9-10,13-14,16H,3-4,11-12H2,1-2H3