(3Z)-2-methyl-1,1-bis(oxidanylidene)-3-[oxidanyl-(pyridin-2-ylamino)methylidene]-1$l^{6},2-benzothiazin-4-one phosphate

Systemtic Name: (3Z)-2-methyl-1,1-bis(oxidanylidene)-3-[oxidanyl-(pyridin-2-ylamino)methylidene]-1$l^{6},2-benzothiazin-4-one phosphate Openeye Name: (3Z)-3-[hydroxy-(2-pyridylamino)methylene]-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-one phosphate CAS Name: (3Z)-3-[hydroxy-(2-pyridinylamino)methylidene]-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-one phosphate IUPAC Name: (3Z)-3-[hydroxy-(pyridin-2-ylamino)methylidene]-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-one phosphate Traditional Name: (3Z)-3-[hydroxy-(2-pyridylamino)methylene]-1,1-diketo-2-methyl-1$l^{6},2-benzothiazin-4-one phosphate Formula: C15H13N3O8PS-3 MolecularWeight: 426.317781

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(NC2=CC=CC=N2)O)C(=O)C3=CC=CC=C3S1(=O)=O.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CN1/C(=C(/NC2=CC=CC=N2)\O)/C(=O)C3=CC=CC=C3S1(=O)=O.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C15H13N3O4S.H3O4P/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22;1-5(2,3)4/h2-9,20H,1H3,(H,16,17);(H3,1,2,3,4)/p-3/b15-13-;