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

SpectraBase Compound ID	GiXuq03b17k
InChI	InChI=1S/C17H20F6N2O3S/c1-8(2)12(26)24-15(16(18,19)20,17(21,22)23)25-13-11(14(27)28-3)9-6-4-5-7-10(9)29-13/h8,25H,4-7H2,1-3H3,(H,24,26)
InChIKey	IUHBGLFKWCHFCQ-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	JNibv0TKBwQ
Name	Methyl 2-([2,2,2-trifluoro-1-(isobutyrylamino)-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-[(2-methyl-1-oxopropyl)amino]propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester 2-[[2,2,2-trifluoro-1-(isobutyrylamino)-1-(trifluoromethyl)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-(2-methyl-1-oxopropylaminoethyl]amino-, methyl ester Methyl 2-[[1,1,1,3,3,3-hexafluoro-2-(2-methylpropanoylamino)propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 2-[[1,1,1,3,3,3-hexakis(fluoranyl)-2-(2-methylpropanoylamino)propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 2-[[2,2,2-trifluoro-1-(2-methylpropanoylamino)-1-(trifluoromethyl)ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Registry Number	309731-50-8
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H20F6N2O3S
InChI	InChI=1S/C17H20F6N2O3S/c1-8(2)12(26)24-15(16(18,19)20,17(21,22)23)25-13-11(14(27)28-3)9-6-4-5-7-10(9)29-13/h8,25H,4-7H2,1-3H3,(H,24,26)
InChIKey	IUHBGLFKWCHFCQ-UHFFFAOYSA-N
Molecular Weight	446.408 g/mol
SMILES	N(c1c(c2CCCCc2s1)C(=O)OC)C(NC(=O)C(C)C)(C(F)(F)F)C(F)(F)F
SPLASH	splash10-0006-9112100000-dd972ed3ef9d4c15aef8
Source of Spectrum	AD-0-2532-0
Wiley ID	1429335