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benzo[b]thiophene-3-carboxylic acid, 2-[[[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]amino]carbonyl]amino]-4,5,6,7-

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

benzo[b]thiophene-3-carboxylic acid, 2-[[[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]amino]carbonyl]amino]-4,5,6,7-
SpectraBase Compound ID CnaQ7frtvJ7
InChI InChI=1S/C18H20F6N2O6S/c1-3-31-14(28)17(18(22,23)24,32-8-16(19,20)21)26-15(29)25-12-11(13(27)30-2)9-6-4-5-7-10(9)33-12/h3-8H2,1-2H3,(H2,25,26,29)
InChIKey DUJQTYVYAVDNSX-UHFFFAOYSA-N
Mol Weight 506.42 g/mol
Molecular Formula C18H20F6N2O6S
Exact Mass 506.094627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdOeFHgq6Uu
Name 2-[[1-carbethoxy-2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20F6N2O6S
InChI InChI=1S/C18H20F6N2O6S/c1-3-31-14(28)17(18(22,23)24,32-8-16(19,20)21)26-15(29)25-12-11(13(27)30-2)9-6-4-5-7-10(9)33-12/h3-8H2,1-2H3,(H2,25,26,29)
InChIKey DUJQTYVYAVDNSX-UHFFFAOYSA-N
Molecular Weight 506.416 g/mol
SMILES N(C(C(F)(F)F)(C(=O)OCC)OCC(F)(F)F)C(Nc1c(c2CCCCc2s1)C(=O)OC)=O
SPLASH splash10-06vi-8961000000-15333a2cb201b26a68f9
Synonyms 2-[[[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]amino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester Methyl 2-[[1-ethoxycarbonyl-2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Methyl 2-[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 2-[[3-ethoxy-1,1,1-tris(fluoranyl)-3-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethoxy]propan-2-yl]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Wiley ID 1454457