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Ethyl 4-methyl-2-(3-phenylthioureido)-5-(pyridin-2-ylcarbamoyl)thiophene-3-carboxylate
SpectraBase Compound ID B5bMfC7OJ7
InChI InChI=1S/C21H20N4O3S2/c1-3-28-20(27)16-13(2)17(18(26)24-15-11-7-8-12-22-15)30-19(16)25-21(29)23-14-9-5-4-6-10-14/h4-12H,3H2,1-2H3,(H,22,24,26)(H2,23,25,29)
InChIKey DQJABOPDUKGKMY-UHFFFAOYSA-N
Mol Weight 440.54 g/mol
Molecular Formula C21H20N4O3S2
Exact Mass 440.097683 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgDQzRjgX0G
Name Ethyl 4-methyl-2-(3-phenylthioureido)-5-(pyridin-2-ylcarbamoyl)thiophene-3-carboxylate
Appearance Yellow needles
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Formula C21H20N4O3S2
InChI InChI=1S/C21H20N4O3S2/c1-3-28-20(27)16-13(2)17(18(26)24-15-11-7-8-12-22-15)30-19(16)25-21(29)23-14-9-5-4-6-10-14/h4-12H,3H2,1-2H3,(H,22,24,26)(H2,23,25,29)
InChIKey DQJABOPDUKGKMY-UHFFFAOYSA-N
Instrument Name Kratos MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4002
Molecular Weight 440.536 g/mol
SMILES N(C(c1c(c(c(s1)NC(=S)Nc1ccccc1)C(OCC)=O)C)=O)c1ncccc1
SPLASH splash10-014i-9000000000-5cfe95e81cc71684c67a
Source of Spectrum Y-57-2933-10
Wiley ID 1860274