2-[6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl]ethanoic acid

Systemtic Name: 2-[6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl]ethanoic acid Openeye Name: 2-[6-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]-3-pyridyl]acetic acid CAS Name: 2-[6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridinyl]acetic acid IUPAC Name: 2-[6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl]acetic acid Traditional Name: 2-[6-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]-3-pyridyl]acetic acid Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)CC(=O)O)C(CCS2)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)CC(=O)O)C(CCS2)(C)C

InChI

InChI=1S/C22H23NO2S/c1-4-16-13-20-19(22(2,3)9-10-26-20)12-17(16)6-8-18-7-5-15(14-23-18)11-21(24)25/h5,7,12-14H,4,9-11H2,1-3H3,(H,24,25)