2-[6-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl]ethanoate

Systemtic Name: 2-[6-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl]ethanoate Openeye Name: 2-[6-[2-(4,4,7-trimethylthiochroman-6-yl)ethynyl]-3-pyridyl]acetate CAS Name: 2-[6-[2-(4,4,7-trimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridinyl]acetate IUPAC Name: 2-[6-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl]acetate Traditional Name: 2-[6-[2-(4,4,7-trimethylthiochroman-6-yl)ethynyl]-3-pyridyl]acetate Formula: C21H20NO2S- MolecularWeight: 350.454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C#CC3=NC=C(C=C3)CC(=O)[O-])C(CCS2)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C#CC3=NC=C(C=C3)CC(=O)[O-])C(CCS2)(C)C

InChI

InChI=1S/C21H21NO2S/c1-14-10-19-18(21(2,3)8-9-25-19)12-16(14)5-7-17-6-4-15(13-22-17)11-20(23)24/h4,6,10,12-13H,8-9,11H2,1-3H3,(H,23,24)/p-1