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3-Thiophenecarboxylic acid, 4-ethyl-5-methyl-2-[[2,2,2-trifluoro-1-[(2-phenylacetyl)amino]-1-(trifluoromethyl)ethyl]amino]-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Thiophenecarboxylic acid, 4-ethyl-5-methyl-2-[[2,2,2-trifluoro-1-[(2-phenylacetyl)amino]-1-(trifluoromethyl)ethyl]amino]-, methyl ester
SpectraBase Compound ID DbY6R10Gc6
InChI InChI=1S/C20H20F6N2O3S/c1-4-13-11(2)32-16(15(13)17(30)31-3)28-18(19(21,22)23,20(24,25)26)27-14(29)10-12-8-6-5-7-9-12/h5-9,28H,4,10H2,1-3H3,(H,27,29)
InChIKey URALGNZDKKWLSA-UHFFFAOYSA-N
Mol Weight 482.44 g/mol
Molecular Formula C20H20F6N2O3S
Exact Mass 482.109883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1eT86JQIVw
Name 3-Thiophenecarboxylic acid, 4-ethyl-5-methyl-2-[[2,2,2-trifluoro-1-[(2-phenylacetyl)amino]-1-(trifluoromethyl)ethyl]amino]-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20F6N2O3S
InChI InChI=1S/C20H20F6N2O3S/c1-4-13-11(2)32-16(15(13)17(30)31-3)28-18(19(21,22)23,20(24,25)26)27-14(29)10-12-8-6-5-7-9-12/h5-9,28H,4,10H2,1-3H3,(H,27,29)
InChIKey URALGNZDKKWLSA-UHFFFAOYSA-N
Molecular Weight 482.441 g/mol
SMILES N(C(=O)Cc1ccccc1)C(C(F)(F)F)(Nc1sc(c(c1C(OC)=O)CC)C)C(F)(F)F
SPLASH splash10-014m-7968000000-8fb8cca4844198468d74
Source of Spectrum IY-2-5039-8
Synonyms Methyl 4-ethyl-2-{[1,1,1,3,3,3-hexafluoro-2-(2-phenylacetamido)propan-2-yl]amino}-5-methylthiophene-3-carboxylate 4-Ethyl-2-[[1,1,1,3,3,3-hexafluoro-2-[(1-oxo-2-phenylethyl)amino]propan-2-yl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester Methyl 4-ethyl-2-[[1,1,1,3,3,3-hexafluoro-2-[(2-phenylacetyl)amino]propan-2-yl]amino]-5-methylthiophene-3-carboxylate Methyl 4-ethyl-5-methyl-2-[[2,2,2-trifluoro-1-[(2-phenylacetyl)amino]-1-(trifluoromethyl)ethyl]amino]thiophene-3-carboxylate Methyl 4-ethyl-2-[[1,1,1,3,3,3-hexakis(fluoranyl)-2-(2-phenylethanoylamino)propan-2-yl]amino]-5-methyl-thiophene-3-carboxylate
Wiley ID 1658381