Methyl 2-([2,2,2-trifluoro-1-(pentanoylamino)-1-(trifluoromethyl)ethyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

SpectraBase Compound ID	KnxPcSRp2po
InChI	InChI=1S/C18H22F6N2O3S/c1-3-4-9-12(27)25-16(17(19,20)21,18(22,23)24)26-14-13(15(28)29-2)10-7-5-6-8-11(10)30-14/h26H,3-9H2,1-2H3,(H,25,27)
InChIKey	HKZNQXQSZHOPIJ-UHFFFAOYSA-N Google Search
Mol Weight	460.44 g/mol
Molecular Formula	C18H22F6N2O3S
Exact Mass	460.125533 g/mol

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SpectraBase Spectrum ID	9oCtBQroWRd
Name	Methyl 2-([2,2,2-trifluoro-1-(pentanoylamino)-1-(trifluoromethyl)ethyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Alternate Name(s)	2-[[1,1,1,3,3,3-hexafluoro-2-(1-oxopentylamino)propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester 2-[[2,2,2-trifluoro-1-(trifluoromethyl)-1-(valerylamino)ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[2,2,2-trifluoro-1-trifluoromethyl-1-(1-oxopetylamino)ethylamino]- methyl ester Methyl 2-[[1,1,1,3,3,3-hexafluoro-2-(pentanoylamino)propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 2-[[1,1,1,3,3,3-hexakis(fluoranyl)-2-(pentanoylamino)propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 2-[[2,2,2-trifluoro-1-(pentanoylamino)-1-(trifluoromethyl)ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Registry Number	309731-51-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H22F6N2O3S
InChI	InChI=1S/C18H22F6N2O3S/c1-3-4-9-12(27)25-16(17(19,20)21,18(22,23)24)26-14-13(15(28)29-2)10-7-5-6-8-11(10)30-14/h26H,3-9H2,1-2H3,(H,25,27)
InChIKey	HKZNQXQSZHOPIJ-UHFFFAOYSA-N
Molecular Weight	460.435 g/mol
SMILES	N(c1c(c2CCCCc2s1)C(=O)OC)C(C(F)(F)F)(C(F)(F)F)NC(=O)CCCC
SPLASH	splash10-0a6r-9223100000-287beaa16a700893e118
Source of Spectrum	AD-0-2532-0
Wiley ID	1429401