2-[6-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl]ethanoate

Systemtic Name: 2-[6-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl]ethanoate Openeye Name: 2-[6-[2-(4,4-diethylthiochroman-6-yl)ethynyl]-3-pyridyl]acetate CAS Name: 2-[6-[2-(4,4-diethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridinyl]acetate IUPAC Name: 2-[6-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl]acetate Traditional Name: 2-[6-[2-(4,4-diethylthiochroman-6-yl)ethynyl]-3-pyridyl]acetate Formula: C22H22NO2S- MolecularWeight: 364.48058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)CC(=O)[O-])CC

Isomeric SMILES

CCC1(CCSC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)CC(=O)[O-])CC

InChI

InChI=1S/C22H23NO2S/c1-3-22(4-2)11-12-26-20-10-7-16(13-19(20)22)5-8-18-9-6-17(15-23-18)14-21(24)25/h6-7,9-10,13,15H,3-4,11-12,14H2,1-2H3,(H,24,25)/p-1