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2-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester

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2-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester
SpectraBase Compound ID NnDLFhrkT4
InChI InChI=1S/C21H24Cl2N2O5S/c1-5-25(6-2)20(27)18-12(4)17(21(28)29-7-3)19(31-18)24-16(26)11-30-15-9-8-13(22)10-14(15)23/h8-10H,5-7,11H2,1-4H3,(H,24,26)
InChIKey NCHXBOQQNMRIAI-UHFFFAOYSA-N
Mol Weight 487.4 g/mol
Molecular Formula C21H24Cl2N2O5S
Exact Mass 486.078298 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbjXSPezGmG
Name 2-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester
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Formula C21H24Cl2N2O5S
InChI InChI=1S/C21H24Cl2N2O5S/c1-5-25(6-2)20(27)18-12(4)17(21(28)29-7-3)19(31-18)24-16(26)11-30-15-9-8-13(22)10-14(15)23/h8-10H,5-7,11H2,1-4H3,(H,24,26)
InChIKey NCHXBOQQNMRIAI-UHFFFAOYSA-N
Molecular Weight 487.398 g/mol
SMILES N(c1sc(c(c1C(=O)OCC)C)C(N(CC)CC)=O)C(=O)COc1c(cc(cc1)Cl)Cl
SPLASH splash10-000i-3932400000-5c445fea363181e05ac6
Synonyms Ethyl 2-[2-[2,4-bis(chloranyl)phenoxy]ethanoylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Ethyl 2-{[(2,4-dichlorophenoxy)acetyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate Ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Wiley ID 1461730