3-[6-(7-fluoranyl-4-oxidanylidene-1,3-benzothiazin-2-yl)-4-methylsulfonyl-pyridin-2-yl]propanoic acid

Systemtic Name: 3-[6-(7-fluoranyl-4-oxidanylidene-1,3-benzothiazin-2-yl)-4-methylsulfonyl-pyridin-2-yl]propanoic acid Openeye Name: 3-[6-(7-fluoro-4-oxo-1,3-benzothiazin-2-yl)-4-methylsulfonyl-2-pyridyl]propanoic acid CAS Name: 3-[6-(7-fluoro-4-oxo-1,3-benzothiazin-2-yl)-4-methylsulfonyl-2-pyridinyl]propanoic acid IUPAC Name: 3-[6-(7-fluoro-4-oxo-1,3-benzothiazin-2-yl)-4-methylsulfonylpyridin-2-yl]propanoic acid Traditional Name: 3-[6-(7-fluoro-4-keto-1,3-benzothiazin-2-yl)-4-mesyl-2-pyridyl]propionic acid Formula: C17H13FN2O5S2 MolecularWeight: 408.423923

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=NC(=C1)CCC(=O)O)C2=NC(=O)C3=C(S2)C=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=NC(=C1)CCC(=O)O)C2=NC(=O)C3=C(S2)C=C(C=C3)F

InChI

InChI=1S/C17H13FN2O5S2/c1-27(24,25)11-7-10(3-5-15(21)22)19-13(8-11)17-20-16(23)12-4-2-9(18)6-14(12)26-17/h2,4,6-8H,3,5H2,1H3,(H,21,22)