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Ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]formamido}propanoate
SpectraBase Compound ID CDfNmtcrCbf
InChI InChI=1S/C21H19F6N3O3S/c1-4-14-11(3)34-17(15(14)10-28)30-19(21(25,26)27,18(32)33-5-2)29-16(31)12-7-6-8-13(9-12)20(22,23)24/h6-9,30H,4-5H2,1-3H3,(H,29,31)
InChIKey OYKGXOQCPBIROO-UHFFFAOYSA-N
Mol Weight 507.45 g/mol
Molecular Formula C21H19F6N3O3S
Exact Mass 507.105132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GFjUE2tTngz
Name Ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]formamido}propanoate
Alternate Name(s) Propanoic acid, 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-2-[[3-(trifluoromethyl)benzoyl]amino]-, ethyl ester 2-[(3-cyano-4-ethyl-5-methyl-2-thiophenyl)amino]-3,3,3-trifluoro-2-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]propanoic acid ethyl ester Ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-[[3-(trifluoromethyl)benzoyl]amino]propanoate Ethyl 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-2-[[3-(trifluoromethyl)benzoyl]amino]propanoate Ethyl 2-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)amino]-3,3,3-tris(fluoranyl)-2-[[3-(trifluoromethyl)phenyl]carbonylamino]propanoate
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Formula C21H19F6N3O3S
InChI InChI=1S/C21H19F6N3O3S/c1-4-14-11(3)34-17(15(14)10-28)30-19(21(25,26)27,18(32)33-5-2)29-16(31)12-7-6-8-13(9-12)20(22,23)24/h6-9,30H,4-5H2,1-3H3,(H,29,31)
InChIKey OYKGXOQCPBIROO-UHFFFAOYSA-N
Molecular Weight 507.451 g/mol
SMILES N(C(=O)c1cccc(c1)C(F)(F)F)C(C(F)(F)F)(Nc1sc(c(c1C#N)CC)C)C(OCC)=O
SPLASH splash10-01b9-9823010000-bc15716cecd7455554cc
Source of Spectrum IY-2-5046-1
Wiley ID 1658444