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3,3,3-Trifluoro-2-(4-fluoro-benzoylamino)-2-(5-methyl-[1,3,4]thiadiazol-2-ylamino)-propionic acid ethyl ester
SpectraBase Compound ID 23pXyXEzdI3
InChI InChI=1S/C15H14F4N4O3S/c1-3-26-12(25)14(15(17,18)19,21-13-23-22-8(2)27-13)20-11(24)9-4-6-10(16)7-5-9/h4-7H,3H2,1-2H3,(H,20,24)(H,21,23)
InChIKey HAOWDLOVIFQNDZ-UHFFFAOYSA-N
Mol Weight 406.36 g/mol
Molecular Formula C15H14F4N4O3S
Exact Mass 406.072274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlnjAybYN7F
Name 3,3,3-Trifluoro-2-(4-fluoro-benzoylamino)-2-(5-methyl-[1,3,4]thiadiazol-2-ylamino)-propionic acid ethyl ester
Alternate Name(s) 3,3,3-trifluoro-2-[[(4-fluorophenyl)-oxomethyl]amino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanoic acid ethyl ester Ethyl 3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanoate Ethyl 3,3,3-tris(fluoranyl)-2-[(4-fluorophenyl)carbonylamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanoate
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Formula C15H14F4N4O3S
InChI InChI=1S/C15H14F4N4O3S/c1-3-26-12(25)14(15(17,18)19,21-13-23-22-8(2)27-13)20-11(24)9-4-6-10(16)7-5-9/h4-7H,3H2,1-2H3,(H,20,24)(H,21,23)
InChIKey HAOWDLOVIFQNDZ-UHFFFAOYSA-N
Molecular Weight 406.356 g/mol
SMILES N(C(Nc1sc(C)nn1)(C(F)(F)F)C(=O)OCC)C(c1ccc(cc1)F)=O
SPLASH splash10-00di-6901000000-9659f37a635659166abc
Wiley ID 1460408