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2-[5-[[1-oxo-3-phenyl-3-[(2,2,2-trifluoro-1-oxoethyl)amino]propyl]amino]-1,3,4-thiadiazol-2-yl]acetic acid ethyl ester
SpectraBase Compound ID B6cFmK4wsyN
InChI InChI=1S/C17H17F3N4O4S/c1-2-28-14(26)9-13-23-24-16(29-13)22-12(25)8-11(10-6-4-3-5-7-10)21-15(27)17(18,19)20/h3-7,11H,2,8-9H2,1H3,(H,21,27)(H,22,24,25)
InChIKey QJCXCEAQKATGOA-UHFFFAOYSA-N
Mol Weight 430.4 g/mol
Molecular Formula C17H17F3N4O4S
Exact Mass 430.092261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AgrmRTszR0U
Name 2-[5-[[1-oxo-3-phenyl-3-[(2,2,2-trifluoro-1-oxoethyl)amino]propyl]amino]-1,3,4-thiadiazol-2-yl]acetic acid ethyl ester
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Formula C17H17F3N4O4S
InChI InChI=1S/C17H17F3N4O4S/c1-2-28-14(26)9-13-23-24-16(29-13)22-12(25)8-11(10-6-4-3-5-7-10)21-15(27)17(18,19)20/h3-7,11H,2,8-9H2,1H3,(H,21,27)(H,22,24,25)
InChIKey QJCXCEAQKATGOA-UHFFFAOYSA-N
Molecular Weight 430.402 g/mol
SMILES N(c1sc(CC(=O)OCC)nn1)C(CC(NC(C(F)(F)F)=O)c1ccccc1)=O
SPLASH splash10-0f79-5920000000-1e2bbf8632db20d87704
Synonyms 2-[5-[[3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]-1,3,4-thiadiazol-2-yl]acetic acid ethyl ester Ethyl 2-[5-[[3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]-1,3,4-thiadiazol-2-yl]acetate Ethyl 2-[5-[[3-phenyl-3-[2,2,2-tris(fluoranyl)ethanoylamino]propanoyl]amino]-1,3,4-thiadiazol-2-yl]ethanoate
Wiley ID 1444398