copper; N,N-dimethylmethanamide; (3E)-2-methyl-1,1-bis(oxidanylidene)-3-[oxidanyl-(pyridin-2-ylamino)methylidene]-1$l^{6},2-benzothiazin-4-one

Systemtic Name: copper; N,N-dimethylmethanamide; (3E)-2-methyl-1,1-bis(oxidanylidene)-3-[oxidanyl-(pyridin-2-ylamino)methylidene]-1$l^{6},2-benzothiazin-4-one Openeye Name: copper; N,N-dimethylformamide; (3E)-3-[hydroxy-(2-pyridylamino)methylene]-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-one CAS Name: copper; N,N-dimethylformamide; (3E)-3-[hydroxy-(2-pyridinylamino)methylidene]-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-one IUPAC Name: copper; N,N-dimethylformamide; (3E)-3-[hydroxy-(pyridin-2-ylamino)methylidene]-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-one Traditional Name: cupric; N,N-dimethylformamide; (3E)-3-[hydroxy-(2-pyridylamino)methylene]-1,1-diketo-2-methyl-1$l^{6},2-benzothiazin-4-one Formula: C36H40CuN8O10S2+2 MolecularWeight: 872.4264

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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.CN1C(=C(NC2=CC=CC=N2)O)C(=O)C3=CC=CC=C3S1(=O)=O.CN(C)C=O.CN(C)C=O.[Cu+2]

Isomeric SMILES

CN\1S(=O)(=O)C2=CC=CC=C2C(=O)/C1=C(\O)/NC3=CC=CC=N3.CN\1S(=O)(=O)C2=CC=CC=C2C(=O)/C1=C(\O)/NC3=CC=CC=N3.CN(C=O)C.CN(C=O)C.[Cu+2]

InChI

InChI=1S/2C15H13N3O4S.2C3H7NO.Cu/c2*1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22;2*1-4(2)3-5;/h2*2-9,20H,1H3,(H,16,17);2*3H,1-2H3;/q;;;;+2/b2*15-13+;;;