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Methyl 2-([1-[(3-chlorobenzoyl)amino]-1-(ethoxycarbonyl)-2,2,2-trifluoroethyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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Methyl 2-([1-[(3-chlorobenzoyl)amino]-1-(ethoxycarbonyl)-2,2,2-trifluoroethyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID GuPaEjr6COW
InChI InChI=1S/C22H22ClF3N2O5S/c1-3-33-20(31)21(22(24,25)26,27-17(29)12-7-6-8-13(23)11-12)28-18-16(19(30)32-2)14-9-4-5-10-15(14)34-18/h6-8,11,28H,3-5,9-10H2,1-2H3,(H,27,29)
InChIKey JRIWVHXDYWPAIV-UHFFFAOYSA-N
Mol Weight 518.94 g/mol
Molecular Formula C22H22ClF3N2O5S
Exact Mass 518.089005 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGKecOzuCZJ
Name Methyl 2-([1-[(3-chlorobenzoyl)amino]-1-(ethoxycarbonyl)-2,2,2-trifluoroethyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Alternate Name(s) 2-[[1-carbethoxy-1-[(3-chlorobenzoyl)amino]-2,2,2-trifluoro-ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester 2-[[2-[[(3-chlorophenyl)-oxomethyl]amino]-3-ethoxy-1,1,1-trifluoro-3-oxopropan-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)-1-ethoxycarbonyl-2,2,2-trifluoroethylamino)-, methyl ester Methyl 2-[[1-[(3-chlorobenzoyl)amino]-1-ethoxycarbonyl-2,2,2-trifluoro-ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Methyl 2-[[2-[(3-chlorobenzoyl)amino]-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 2-[[2-[(3-chlorophenyl)carbonylamino]-3-ethoxy-1,1,1-tris(fluoranyl)-3-oxidanylidene-propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS Registry Number 309730-87-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22ClF3N2O5S
InChI InChI=1S/C22H22ClF3N2O5S/c1-3-33-20(31)21(22(24,25)26,27-17(29)12-7-6-8-13(23)11-12)28-18-16(19(30)32-2)14-9-4-5-10-15(14)34-18/h6-8,11,28H,3-5,9-10H2,1-2H3,(H,27,29)
InChIKey JRIWVHXDYWPAIV-UHFFFAOYSA-N
Molecular Weight 518.935 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OC)C(NC(c1cc(Cl)ccc1)=O)(C(F)(F)F)C(=O)OCC
SPLASH splash10-01rl-2941010000-f5590d577deb6aa9b269
Source of Spectrum AD-0-2532-0
Wiley ID 1429391