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2-(methylthio)-4-[(4-nitrobenzoyl)amino]thiazole-5-carboxylic acid ethyl ester
SpectraBase Compound ID 3wUe9YgIkw4
InChI InChI=1S/C14H13N3O5S2/c1-3-22-13(19)10-11(16-14(23-2)24-10)15-12(18)8-4-6-9(7-5-8)17(20)21/h4-7H,3H2,1-2H3,(H,15,18)
InChIKey SDHCFMOEKVSMRJ-UHFFFAOYSA-N
Mol Weight 367.39 g/mol
Molecular Formula C14H13N3O5S2
Exact Mass 367.029663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pO0CGXHeti
Name 2-(methylthio)-4-[(4-nitrobenzoyl)amino]thiazole-5-carboxylic acid ethyl ester
Alternate Name(s) 2-(methylthio)-4-[[(4-nitrophenyl)-oxomethyl]amino]-5-thiazolecarboxylic acid ethyl ester ethyl 2-(methylsulfanyl)-4-[(4-nitrobenzoyl)amino]-1,3-thiazole-5-carboxylate ethyl 2-methylsulfanyl-4-[(4-nitrobenzoyl)amino]thiazole-5-carboxylate ethyl 2-methylsulfanyl-4-[(4-nitrophenyl)carbonylamino]-1,3-thiazole-5-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C14H13N3O5S2
InChI InChI=1S/C14H13N3O5S2/c1-3-22-13(19)10-11(16-14(23-2)24-10)15-12(18)8-4-6-9(7-5-8)17(20)21/h4-7H,3H2,1-2H3,(H,15,18)
InChIKey SDHCFMOEKVSMRJ-UHFFFAOYSA-N
Molecular Weight 367.394 g/mol
SMILES N(c1nc(sc1C(=O)OCC)SC)C(c1ccc(cc1)N(=O)=O)=O
SPLASH splash10-0udi-0903000000-d003eab131c52e04af91
Source of Spectrum SO-0-108-14
Wiley ID 1543939