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2-(3-Cyano-4-ethyl-5-methyl-thiophen-2-ylamino)-3,3,3-trifluoro-2-(2-fluoro-benzoylamino)-propionic acid ethyl ester
SpectraBase Compound ID LmI5mjaf07q
InChI InChI=1S/C20H19F4N3O3S/c1-4-12-11(3)31-17(14(12)10-25)27-19(20(22,23)24,18(29)30-5-2)26-16(28)13-8-6-7-9-15(13)21/h6-9,27H,4-5H2,1-3H3,(H,26,28)
InChIKey FZXPYXGYZVRDAA-UHFFFAOYSA-N
Mol Weight 457.44 g/mol
Molecular Formula C20H19F4N3O3S
Exact Mass 457.108325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DL3yrWETKE7
Name 2-(3-Cyano-4-ethyl-5-methyl-thiophen-2-ylamino)-3,3,3-trifluoro-2-(2-fluoro-benzoylamino)-propionic acid ethyl ester
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Formula C20H19F4N3O3S
InChI InChI=1S/C20H19F4N3O3S/c1-4-12-11(3)31-17(14(12)10-25)27-19(20(22,23)24,18(29)30-5-2)26-16(28)13-8-6-7-9-15(13)21/h6-9,27H,4-5H2,1-3H3,(H,26,28)
InChIKey FZXPYXGYZVRDAA-UHFFFAOYSA-N
Molecular Weight 457.444 g/mol
SMILES N(c1c(c(CC)c(s1)C)C#N)C(NC(c1c(F)cccc1)=O)(C(F)(F)F)C(=O)OCC
SPLASH splash10-00xr-3911000000-d60024b13ed84981d660
Synonyms 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]propionic acid ethyl ester 2-[(3-cyano-4-ethyl-5-methyl-2-thiophenyl)amino]-3,3,3-trifluoro-2-[[(2-fluorophenyl)-oxomethyl]amino]propanoic acid ethyl ester Ethyl 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]propanoate Ethyl 2-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)amino]-3,3,3-tris(fluoranyl)-2-[(2-fluorophenyl)carbonylamino]propanoate Ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]propanoate
Wiley ID 1460407