7-(2,6-dimethylpyridin-4-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-thiochromene-3-carboxylic acid

Systemtic Name: 7-(2,6-dimethylpyridin-4-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-thiochromene-3-carboxylic acid Openeye Name: 7-(2,6-dimethyl-4-pyridyl)-6,8-difluoro-4-oxo-thiochromene-3-carboxylic acid CAS Name: 7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-4-oxo-1-benzothiopyran-3-carboxylic acid IUPAC Name: 7-(2,6-dimethylpyridin-4-yl)-6,8-difluoro-4-oxothiochromene-3-carboxylic acid Traditional Name: 7-(2,6-dimethyl-4-pyridyl)-6,8-difluoro-4-keto-thiochromene-3-carboxylic acid Formula: C17H11F2NO3S MolecularWeight: 347.335946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C)C2=C(C=C3C(=C2F)SC=C(C3=O)C(=O)O)F

Isomeric SMILES

CC1=CC(=CC(=N1)C)C2=C(C=C3C(=C2F)SC=C(C3=O)C(=O)O)F

InChI

InChI=1S/C17H11F2NO3S/c1-7-3-9(4-8(2)20-7)13-12(18)5-10-15(21)11(17(22)23)6-24-16(10)14(13)19/h3-6H,1-2H3,(H,22,23)