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2-[[1,1,1-trifluoro-3-methoxy-3-oxo-2-[(1-oxo-2-phenylethyl)amino]propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
SpectraBase Compound ID PbXTEAzDPc
InChI InChI=1S/C22H23F3N2O5S/c1-31-19(29)17-14-10-6-7-11-15(14)33-18(17)27-21(20(30)32-2,22(23,24)25)26-16(28)12-13-8-4-3-5-9-13/h3-5,8-9,27H,6-7,10-12H2,1-2H3,(H,26,28)
InChIKey KADOHUBLGHNEQH-UHFFFAOYSA-N
Mol Weight 484.49 g/mol
Molecular Formula C22H23F3N2O5S
Exact Mass 484.127978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PooV2Yi8FQ
Name 2-[[1,1,1-trifluoro-3-methoxy-3-oxo-2-[(1-oxo-2-phenylethyl)amino]propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
Alternate Name(s) 2-[[1-carbomethoxy-2,2,2-trifluoro-1-[(2-phenylacetyl)amino]ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Methyl 2-[[1,1,1-trifluoro-3-methoxy-3-oxo-2-[(2-phenylacetyl)amino]propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 2-[[1,1,1-tris(fluoranyl)-3-methoxy-3-oxidanylidene-2-(2-phenylethanoylamino)propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 2-[[2,2,2-trifluoro-1-methoxycarbonyl-1-[(2-phenylacetyl)amino]ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
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Formula C22H23F3N2O5S
InChI InChI=1S/C22H23F3N2O5S/c1-31-19(29)17-14-10-6-7-11-15(14)33-18(17)27-21(20(30)32-2,22(23,24)25)26-16(28)12-13-8-4-3-5-9-13/h3-5,8-9,27H,6-7,10-12H2,1-2H3,(H,26,28)
InChIKey KADOHUBLGHNEQH-UHFFFAOYSA-N
Molecular Weight 484.490 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OC)C(C(F)(F)F)(NC(=O)Cc1ccccc1)C(=O)OC
SPLASH splash10-0006-9451000000-a3d782288cb9ac9c301d
Wiley ID 1442303