2-(2,2-dimethyl-4-oxidanylidene-3H-thiochromen-6-yl)ethynyl 2-fluoranylbenzoate

Systemtic Name: 2-(2,2-dimethyl-4-oxidanylidene-3H-thiochromen-6-yl)ethynyl 2-fluoranylbenzoate Openeye Name: 2-(2,2-dimethyl-4-oxo-thiochroman-6-yl)ethynyl 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid 2-(2,2-dimethyl-4-oxo-3H-1-benzothiopyran-6-yl)ethynyl ester IUPAC Name: 2-(2,2-dimethyl-4-oxo-3H-thiochromen-6-yl)ethynyl 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid 2-(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=CC(=C2)C#COC(=O)C3=CC=CC=C3F)C

Isomeric SMILES

CC1(CC(=O)C2=C(S1)C=CC(=C2)C#COC(=O)C3=CC=CC=C3F)C

InChI

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