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

View entire compound with spectra: 1 MS (GC)

Methyl 2-([1-[(3-chlorobenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID IrXkaNGmVx7
InChI InChI=1S/C20H17ClF6N2O3S/c1-32-17(31)14-12-7-2-3-8-13(12)33-16(14)29-18(19(22,23)24,20(25,26)27)28-15(30)10-5-4-6-11(21)9-10/h4-6,9,29H,2-3,7-8H2,1H3,(H,28,30)
InChIKey DHQXQWYPYHNRLK-UHFFFAOYSA-N
Mol Weight 514.87 g/mol
Molecular Formula C20H17ClF6N2O3S
Exact Mass 514.05526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3r2ujh1LvMC
Name Methyl 2-([1-[(3-chlorobenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Alternate Name(s) 2-[[1-[(3-chlorobenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester 2-[[2-[[(3-chlorophenyl)-oxomethyl]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(3-chlorobenzoylamino)-2,2,2-trifluoro-1-trifluoromethylethylamino]-, methyl ester Methyl 2-[[1-[(3-chlorobenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Methyl 2-[[2-[(3-chlorobenzoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 2-[[2-[(3-chlorophenyl)carbonylamino]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS Registry Number 309731-53-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17ClF6N2O3S
InChI InChI=1S/C20H17ClF6N2O3S/c1-32-17(31)14-12-7-2-3-8-13(12)33-16(14)29-18(19(22,23)24,20(25,26)27)28-15(30)10-5-4-6-11(21)9-10/h4-6,9,29H,2-3,7-8H2,1H3,(H,28,30)
InChIKey DHQXQWYPYHNRLK-UHFFFAOYSA-N
Molecular Weight 514.870 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OC)C(NC(c1cc(Cl)ccc1)=O)(C(F)(F)F)C(F)(F)F
SPLASH splash10-03g0-4923020000-71111c0c610831ce75ce
Source of Spectrum AD-0-2532-0
Wiley ID 1429372