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4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-[[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino]-5,6,7,8-tetrahydro-, methyl ester

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

4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-[[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino]-5,6,7,8-tetrahydro-, methyl ester
SpectraBase Compound ID H0W3oR3rSE6
InChI InChI=1S/C22H21Cl2F3N2O5S/c1-33-19(31)16-13-6-4-3-5-7-15(13)35-18(16)29-21(20(32)34-2,22(25,26)27)28-17(30)12-9-8-11(23)10-14(12)24/h8-10,29H,3-7H2,1-2H3,(H,28,30)
InChIKey HRYGFFSTTIDLJE-UHFFFAOYSA-N
Mol Weight 553.38 g/mol
Molecular Formula C22H21Cl2F3N2O5S
Exact Mass 552.050033 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TZnIgmsmME
Name 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-[[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino]-5,6,7,8-tetrahydro-, methyl ester
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Formula C22H21Cl2F3N2O5S
InChI InChI=1S/C22H21Cl2F3N2O5S/c1-33-19(31)16-13-6-4-3-5-7-15(13)35-18(16)29-21(20(32)34-2,22(25,26)27)28-17(30)12-9-8-11(23)10-14(12)24/h8-10,29H,3-7H2,1-2H3,(H,28,30)
InChIKey HRYGFFSTTIDLJE-UHFFFAOYSA-N
Molecular Weight 553.380 g/mol
SMILES N(C(=O)c1ccc(cc1Cl)Cl)C(C(F)(F)F)(Nc1sc2c(c1C(OC)=O)CCCCC2)C(OC)=O
SPLASH splash10-00fr-1921000000-cd0f2fbafdd59055c27c
Source of Spectrum IY-2-5041-8
Synonyms Methyl 2-({2-[(2,4-dichlorophenyl)formamido]-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl}amino)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate 2-[[2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Methyl 2-[[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-methoxycarbonyl-ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Methyl 2-[[2-[(2,4-dichlorophenyl)carbonylamino]-1,1,1-tris(fluoranyl)-3-methoxy-3-oxidanylidene-propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Wiley ID 1658401