2-(7-fluoranyl-2,2-dimethyl-4-oxidanylidene-3H-thiochromen-6-yl)ethynyl benzoate

Systemtic Name: 2-(7-fluoranyl-2,2-dimethyl-4-oxidanylidene-3H-thiochromen-6-yl)ethynyl benzoate Openeye Name: 2-(7-fluoro-2,2-dimethyl-4-oxo-thiochroman-6-yl)ethynyl benzoate CAS Name: benzoic acid 2-(7-fluoro-2,2-dimethyl-4-oxo-3H-1-benzothiopyran-6-yl)ethynyl ester IUPAC Name: 2-(7-fluoro-2,2-dimethyl-4-oxo-3H-thiochromen-6-yl)ethynyl benzoate Traditional Name: benzoic acid 2-(7-fluoro-4-keto-2,2-dimethyl-thiochroman-6-yl)ethynyl ester Formula: C20H15FO3S MolecularWeight: 354.394703

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(S1)C=C(C(=C2)C#COC(=O)C3=CC=CC=C3)F)C

Isomeric SMILES

CC1(CC(=O)C2=C(S1)C=C(C(=C2)C#COC(=O)C3=CC=CC=C3)F)C

InChI

InChI=1S/C20H15FO3S/c1-20(2)12-17(22)15-10-14(16(21)11-18(15)25-20)8-9-24-19(23)13-6-4-3-5-7-13/h3-7,10-11H,12H2,1-2H3