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Ethyl 2-[2-amino-5-(ethoxycarbonyl)-4-thiazolylthio]acetoacetate
SpectraBase Compound ID 7isgI7BozLt
InChI InChI=1S/C12H16N2O5S2/c1-4-18-10(16)7(6(3)15)20-9-8(11(17)19-5-2)21-12(13)14-9/h7H,4-5H2,1-3H3,(H2,13,14)
InChIKey VJWYSNXOTAHVKJ-UHFFFAOYSA-N
Mol Weight 332.39 g/mol
Molecular Formula C12H16N2O5S2
Exact Mass 332.050064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CENV0Q1kWsO
Name Ethyl 2-[2-amino-5-(ethoxycarbonyl)-4-thiazolylthio]acetoacetate
Alternate Name(s) Ethyl 2-amino-4-{[1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,3-thiazole-5-carboxylate
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Formula C12H16N2O5S2
InChI InChI=1S/C12H16N2O5S2/c1-4-18-10(16)7(6(3)15)20-9-8(11(17)19-5-2)21-12(13)14-9/h7H,4-5H2,1-3H3,(H2,13,14)
InChIKey VJWYSNXOTAHVKJ-UHFFFAOYSA-N
Molecular Weight 332.389 g/mol
SMILES Nc1nc(c(s1)C(=O)OCC)SC(C(=O)OCC)C(=O)C
SPLASH splash10-0006-9552000000-936548c3f651e73f3627
Source of Spectrum F-50-7258-7
Wiley ID 1329003