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

Systemtic Name: 2-[6-[4-oxidanylidene-7-(trifluoromethyl)-1,3-benzothiazin-2-yl]pyridin-2-yl]propanoic acid Openeye Name: 2-[6-[4-oxo-7-(trifluoromethyl)-1,3-benzothiazin-2-yl]-2-pyridyl]propanoic acid CAS Name: 2-[6-[4-oxo-7-(trifluoromethyl)-1,3-benzothiazin-2-yl]-2-pyridinyl]propanoic acid IUPAC Name: 2-[6-[4-oxo-7-(trifluoromethyl)-1,3-benzothiazin-2-yl]pyridin-2-yl]propanoic acid Traditional Name: 2-[6-[4-keto-7-(trifluoromethyl)-1,3-benzothiazin-2-yl]-2-pyridyl]propionic acid Formula: C17H11F3N2O3S MolecularWeight: 380.34105

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=N1)C2=NC(=O)C3=C(S2)C=C(C=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(C1=CC=CC(=N1)C2=NC(=O)C3=C(S2)C=C(C=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H11F3N2O3S/c1-8(16(24)25)11-3-2-4-12(21-11)15-22-14(23)10-6-5-9(17(18,19)20)7-13(10)26-15/h2-8H,1H3,(H,24,25)