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6-Acetyl-2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester

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

6-Acetyl-2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
SpectraBase Compound ID 80DlkEo7EY5
InChI InChI=1S/C21H23ClN2O5S/c1-4-28-21(27)19-15-7-8-24(13(3)25)10-17(15)30-20(19)23-18(26)11-29-16-6-5-14(22)9-12(16)2/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,23,26)
InChIKey JFOGBYZZTOMVLO-UHFFFAOYSA-N
Mol Weight 450.94 g/mol
Molecular Formula C21H23ClN2O5S
Exact Mass 450.101621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rb9DXcbQW
Name 6-Acetyl-2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
Alternate Name(s) 6-Acetyl-2-[[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Ethyl 2-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]-6-ethanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Ethyl 6-acetyl-2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Ethyl 6-acetyl-2-{[(4-chloro-2-methylphenoxy)acetyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
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Formula C21H23ClN2O5S
InChI InChI=1S/C21H23ClN2O5S/c1-4-28-21(27)19-15-7-8-24(13(3)25)10-17(15)30-20(19)23-18(26)11-29-16-6-5-14(22)9-12(16)2/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,23,26)
InChIKey JFOGBYZZTOMVLO-UHFFFAOYSA-N
Molecular Weight 450.937 g/mol
SMILES N(c1c(c2CCN(Cc2s1)C(=O)C)C(=O)OCC)C(=O)COc1c(cc(cc1)Cl)C
SPLASH splash10-0fvi-0951200000-297085fa74fc7b20a115
Wiley ID 1462489