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4-keto-4-(thieno[2,3-b]pyridin-5-ylamino)butyric acid methyl ester
SpectraBase Compound ID 6bkQlm22vqo
InChI InChI=1S/C12H12N2O3S/c1-17-11(16)3-2-10(15)14-9-6-8-4-5-18-12(8)13-7-9/h4-7H,2-3H2,1H3,(H,14,15)
InChIKey WTAFVNKLWUVCLD-UHFFFAOYSA-N
Mol Weight 264.3 g/mol
Molecular Formula C12H12N2O3S
Exact Mass 264.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzNZGdhVyVS
Name 4-keto-4-(thieno[2,3-b]pyridin-5-ylamino)butyric acid methyl ester
CAS Registry Number 21344-45-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O3S
InChI InChI=1S/C12H12N2O3S/c1-17-11(16)3-2-10(15)14-9-6-8-4-5-18-12(8)13-7-9/h4-7H,2-3H2,1H3,(H,14,15)
InChIKey WTAFVNKLWUVCLD-UHFFFAOYSA-N
Molecular Weight 264.299 g/mol
SMILES N(C(=O)CCC(=O)OC)c1cc2c(nc1)scc2
SPLASH splash10-0udi-1940000000-a4d93032d7e655d12109
Source of Spectrum Y-14-302-0
Synonyms 4-Oxo-4-(5-thieno[2,3-b]pyridinylamino)butanoic acid methyl ester Methyl 4-oxidanylidene-4-(thieno[2,3-b]pyridin-5-ylamino)butanoate Methyl 4-oxo-4-(thieno[2,3-b]pyridin-5-ylamino)butanoate
Wiley ID 1267549