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2,4-Thiophenedicarboxylic acid, 3-methyl-5-[[2-(4-nitro-1H-pyrazol-1-yl)-1-oxopropyl]amino]-, diethyl ester
SpectraBase Compound ID EXWcjUC4SgQ
InChI InChI=1S/C17H20N4O7S/c1-5-27-16(23)12-9(3)13(17(24)28-6-2)29-15(12)19-14(22)10(4)20-8-11(7-18-20)21(25)26/h7-8,10H,5-6H2,1-4H3,(H,19,22)
InChIKey IPEDDCHIUVNODL-UHFFFAOYSA-N
Mol Weight 424.43 g/mol
Molecular Formula C17H20N4O7S
Exact Mass 424.10527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2JGsvbi9y4
Name 2,4-Thiophenedicarboxylic acid, 3-methyl-5-[[2-(4-nitro-1H-pyrazol-1-yl)-1-oxopropyl]amino]-, diethyl ester
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Formula C17H20N4O7S
InChI InChI=1S/C17H20N4O7S/c1-5-27-16(23)12-9(3)13(17(24)28-6-2)29-15(12)19-14(22)10(4)20-8-11(7-18-20)21(25)26/h7-8,10H,5-6H2,1-4H3,(H,19,22)
InChIKey IPEDDCHIUVNODL-UHFFFAOYSA-N
Molecular Weight 424.428 g/mol
SMILES N(c1c(c(C)c(s1)C(=O)OCC)C(=O)OCC)C(C([n]1cc(N(=O)=O)cn1)C)=O
SPLASH splash10-000f-9860200000-e11077863c3c27c50e20
Source of Spectrum IY-1-4530-1
Synonyms 3-Methyl-5-[[2-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Diethyl 3-methyl-5-[2-(4-nitropyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate
Wiley ID 1653284