4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2,2,2-trifluoro-1-[(1-oxopropyl)amino]-1-(trifluoromethyl)ethyl]amino]-, methyl

SpectraBase Compound ID	D3she9Lh3x9
InChI	InChI=1S/C17H20F6N2O3S/c1-3-11(26)24-15(16(18,19)20,17(21,22)23)25-13-12(14(27)28-2)9-7-5-4-6-8-10(9)29-13/h25H,3-8H2,1-2H3,(H,24,26)
InChIKey	NJFNQZKPOPIGQD-UHFFFAOYSA-N Google Search
Mol Weight	446.41 g/mol
Molecular Formula	C17H20F6N2O3S
Exact Mass	446.109883 g/mol

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SpectraBase Spectrum ID	GFnpzwmwkUU
Name	2-[[1,1,1,3,3,3-hexafluoro-2-(1-oxopropylamino)propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H20F6N2O3S
InChI	InChI=1S/C17H20F6N2O3S/c1-3-11(26)24-15(16(18,19)20,17(21,22)23)25-13-12(14(27)28-2)9-7-5-4-6-8-10(9)29-13/h25H,3-8H2,1-2H3,(H,24,26)
InChIKey	NJFNQZKPOPIGQD-UHFFFAOYSA-N
Molecular Weight	446.408 g/mol
SMILES	N(c1c(c2CCCCCc2s1)C(=O)OC)C(C(F)(F)F)(C(F)(F)F)NC(=O)CC
SPLASH	splash10-0a4l-9623000000-4679eee8bd5db1513956
Synonyms	2-[[2,2,2-trifluoro-1-propionamido-1-(trifluoromethyl)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Methyl 2-[[1,1,1,3,3,3-hexafluoro-2-(propanoylamino)propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Methyl 2-[[1,1,1,3,3,3-hexakis(fluoranyl)-2-(propanoylamino)propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Methyl 2-[[2,2,2-trifluoro-1-(propanoylamino)-1-(trifluoromethyl)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Wiley ID	1448108