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4-Amino-3-[oxo-[3-(trifluoromethyl)anilino]methyl]-5-isothiazolecarboxylic acid ethyl ester
SpectraBase Compound ID 9xbDV3HKcXA
InChI InChI=1S/C14H12F3N3O3S/c1-2-23-13(22)11-9(18)10(20-24-11)12(21)19-8-5-3-4-7(6-8)14(15,16)17/h3-6H,2,18H2,1H3,(H,19,21)
InChIKey NSERDOYWZHKDND-UHFFFAOYSA-N
Mol Weight 359.32 g/mol
Molecular Formula C14H12F3N3O3S
Exact Mass 359.055147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ght1lirKPwT
Name 4-Amino-3-[oxo-[3-(trifluoromethyl)anilino]methyl]-5-isothiazolecarboxylic acid ethyl ester
Alternate Name(s) 4-Amino-3-[[3-(trifluoromethyl)phenyl]carbamoyl]isothiazole-5-carboxylic acid ethyl ester Ethyl 4-amino-3-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,2-thiazole-5-carboxylate Ethyl 4-amino-3-[[3-(trifluoromethyl)phenyl]carbamoyl]isothiazole-5-carboxylate Ethyl 4-azanyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,2-thiazole-5-carboxylate Isothiazole-5-carboxylic acid, 4-amino-3-(3-trifluoromethylphenylcarbamoyl)-, ethyl ester
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Formula C14H12F3N3O3S
InChI InChI=1S/C14H12F3N3O3S/c1-2-23-13(22)11-9(18)10(20-24-11)12(21)19-8-5-3-4-7(6-8)14(15,16)17/h3-6H,2,18H2,1H3,(H,19,21)
InChIKey NSERDOYWZHKDND-UHFFFAOYSA-N
Molecular Weight 359.323 g/mol
SMILES Nc1c(C(Nc2cc(C(F)(F)F)ccc2)=O)nsc1C(=O)OCC
SPLASH splash10-0002-9802000000-113ce9047c7585fab0f7
Wiley ID 1446994