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1-Benzothiophene-3-carboxylic acid, 2-[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]amino]-4,5,6,7-tetrahydro-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-Benzothiophene-3-carboxylic acid, 2-[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]amino]-4,5,6,7-tetrahydro-, methyl ester
SpectraBase Compound ID JOys9JtRyLw
InChI InChI=1S/C23H22F6N2O5S/c1-3-36-20(34)21(23(27,28)29,30-17(32)12-7-6-8-13(11-12)22(24,25)26)31-18-16(19(33)35-2)14-9-4-5-10-15(14)37-18/h6-8,11,31H,3-5,9-10H2,1-2H3,(H,30,32)
InChIKey VQXFUGZNJNMGEL-UHFFFAOYSA-N
Mol Weight 552.49 g/mol
Molecular Formula C23H22F6N2O5S
Exact Mass 552.115362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TGBNCot33v
Name 1-Benzothiophene-3-carboxylic acid, 2-[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]amino]-4,5,6,7-tetrahydro-, methyl ester
Alternate Name(s) Methyl 2-[(3-ethoxy-1,1,1-trifluoro-3-oxo-2-{[3-(trifluoromethyl)phenyl]formamido}propan-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 2-[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester Methyl 2-[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[[3-(trifluoromethyl)benzoyl]amino]propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 2-[[1-ethoxycarbonyl-2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Methyl 2-[[3-ethoxy-1,1,1-tris(fluoranyl)-3-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]carbonylamino]propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Formula C23H22F6N2O5S
InChI InChI=1S/C23H22F6N2O5S/c1-3-36-20(34)21(23(27,28)29,30-17(32)12-7-6-8-13(11-12)22(24,25)26)31-18-16(19(33)35-2)14-9-4-5-10-15(14)37-18/h6-8,11,31H,3-5,9-10H2,1-2H3,(H,30,32)
InChIKey VQXFUGZNJNMGEL-UHFFFAOYSA-N
Molecular Weight 552.488 g/mol
SMILES N(C(=O)c1cccc(c1)C(F)(F)F)C(C(F)(F)F)(Nc1sc2c(c1C(OC)=O)CCCC2)C(OCC)=O
SPLASH splash10-0fk9-0973050000-36ee011dd2e7f1f8e515
Source of Spectrum IY-2-5040-5
Wiley ID 1658388