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dimethyl 5-{[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetyl]amino}isophthalate
SpectraBase Compound ID Eevm7jLVnMo
InChI InChI=1S/C20H18N2O6S/c1-27-19(25)11-7-12(20(26)28-2)9-13(8-11)21-17(23)10-16-18(24)22-14-5-3-4-6-15(14)29-16/h3-9,16H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKey CAQZNWWQKPNNST-UHFFFAOYSA-N
Mol Weight 414.43 g/mol
Molecular Formula C20H18N2O6S
Exact Mass 414.088557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9RJpBVoYo9X
Name 5-[[1-oxo-2-(3-oxo-4H-1,4-benzothiazin-2-yl)ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester
Alternate Name(s) 5-[[2-(3-keto-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Dimethyl 5-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]benzene-1,3-dicarboxylate Dimethyl 5-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzene-1,3-dicarboxylate
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Formula C20H18N2O6S
InChI InChI=1S/C20H18N2O6S/c1-27-19(25)11-7-12(20(26)28-2)9-13(8-11)21-17(23)10-16-18(24)22-14-5-3-4-6-15(14)29-16/h3-9,16H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKey CAQZNWWQKPNNST-UHFFFAOYSA-N
Molecular Weight 414.432 g/mol
SMILES N1c2c(SC(CC(Nc3cc(C(=O)OC)cc(c3)C(=O)OC)=O)C1=O)cccc2
SPLASH splash10-056r-6920000000-0fa28e2a9e3f34de5639
Wiley ID 1445254