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3-Amino-2-(3-bromo-benzoyl)-6-hydroxy-thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester
SpectraBase Compound ID JkDgBXBLgVI
InChI InChI=1S/C17H13BrN2O4S/c1-2-24-17(23)11-7-10-12(19)14(25-16(10)20-15(11)22)13(21)8-4-3-5-9(18)6-8/h3-7H,2,19H2,1H3,(H,20,22)
InChIKey VVMKXAASBPJKHY-UHFFFAOYSA-N
Mol Weight 421.27 g/mol
Molecular Formula C17H13BrN2O4S
Exact Mass 419.977941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bi9EAWSrxJG
Name 3-Amino-2-(3-bromo-benzoyl)-6-hydroxy-thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13BrN2O4S
InChI InChI=1S/C17H13BrN2O4S/c1-2-24-17(23)11-7-10-12(19)14(25-16(10)20-15(11)22)13(21)8-4-3-5-9(18)6-8/h3-7H,2,19H2,1H3,(H,20,22)
InChIKey VVMKXAASBPJKHY-UHFFFAOYSA-N
Molecular Weight 421.265 g/mol
SMILES Nc1c(sc2c1cc(c(n2)O)C(OCC)=O)C(c1cc(ccc1)Br)=O
SPLASH splash10-0006-9511100000-21348c328d27c183f3bc
Synonyms Ethyl 3-amino-2-(3-bromobenzoyl)-6-hydroxythieno[2,3-b]pyridine-5-carboxylate
Wiley ID 1446963