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4-Amino-5-[(4-fluoroanilino)-oxomethyl]-3-isothiazolecarboxylic acid ethyl ester
SpectraBase Compound ID EHsSPNVzWro
InChI InChI=1S/C13H12FN3O3S/c1-2-20-13(19)10-9(15)11(21-17-10)12(18)16-8-5-3-7(14)4-6-8/h3-6H,2,15H2,1H3,(H,16,18)
InChIKey LTKMMGPKZDRINW-UHFFFAOYSA-N
Mol Weight 309.32 g/mol
Molecular Formula C13H12FN3O3S
Exact Mass 309.058341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3mTmJBtzCC
Name 4-Amino-5-[(4-fluoroanilino)-oxomethyl]-3-isothiazolecarboxylic acid ethyl ester
Alternate Name(s) 4-Amino-5-[(4-fluorophenyl)carbamoyl]isothiazole-3-carboxylic acid ethyl ester Ethyl 4-amino-5-[(4-fluorophenyl)carbamoyl]-1,2-thiazole-3-carboxylate Ethyl 4-amino-5-[(4-fluorophenyl)carbamoyl]isothiazole-3-carboxylate Ethyl 4-azanyl-5-[(4-fluorophenyl)carbamoyl]-1,2-thiazole-3-carboxylate Isothiazole-3-carboxylic acid, 4-amino-5-(4-fluorophenylcarbamoyl)-, ethyl ester
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Formula C13H12FN3O3S
InChI InChI=1S/C13H12FN3O3S/c1-2-20-13(19)10-9(15)11(21-17-10)12(18)16-8-5-3-7(14)4-6-8/h3-6H,2,15H2,1H3,(H,16,18)
InChIKey LTKMMGPKZDRINW-UHFFFAOYSA-N
Molecular Weight 309.315 g/mol
SMILES Nc1c(C(Nc2ccc(F)cc2)=O)snc1C(=O)OCC
SPLASH splash10-06r2-4903000000-2266ce383c4e59670ae5
Wiley ID 1446786