ethyl 4-[2-(2,2-dimethyl-4-oxidanylidene-3H-thiochromen-6-yl)ethynyl]-2-fluoranyl-benzoate

Systemtic Name: ethyl 4-[2-(2,2-dimethyl-4-oxidanylidene-3H-thiochromen-6-yl)ethynyl]-2-fluoranyl-benzoate Openeye Name: ethyl 4-[2-(2,2-dimethyl-4-oxo-thiochroman-6-yl)ethynyl]-2-fluoro-benzoate CAS Name: 4-[2-(2,2-dimethyl-4-oxo-3H-1-benzothiopyran-6-yl)ethynyl]-2-fluorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,2-dimethyl-4-oxo-3H-thiochromen-6-yl)ethynyl]-2-fluorobenzoate Traditional Name: 2-fluoro-4-[2-(4-keto-2,2-dimethyl-thiochroman-6-yl)ethynyl]benzoic acid ethyl ester Formula: C22H19FO3S MolecularWeight: 382.447863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C#CC2=CC3=C(C=C2)SC(CC3=O)(C)C)F

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C#CC2=CC3=C(C=C2)SC(CC3=O)(C)C)F

InChI

InChI=1S/C22H19FO3S/c1-4-26-21(25)16-9-7-15(12-18(16)23)6-5-14-8-10-20-17(11-14)19(24)13-22(2,3)27-20/h7-12H,4,13H2,1-3H3