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3-Amino-2-(4-bromobenzoyl)-6-keto-7H-thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester
SpectraBase Compound ID GKQwrZtpQ5F
InChI InChI=1S/C17H13BrN2O4S/c1-2-24-17(23)11-7-10-12(19)14(25-16(10)20-15(11)22)13(21)8-3-5-9(18)6-4-8/h3-7H,2,19H2,1H3,(H,20,22)
InChIKey PLLDLQXTCNUVMH-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 4dpl3fUmyu
Name 3-Amino-2-(4-bromobenzoyl)-6-keto-7H-thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester
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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)8-3-5-9(18)6-4-8/h3-7H,2,19H2,1H3,(H,20,22)
InChIKey PLLDLQXTCNUVMH-UHFFFAOYSA-N
Molecular Weight 421.265 g/mol
SMILES Nc1c(sc2c1cc(c(n2)O)C(OCC)=O)C(c1ccc(cc1)Br)=O
SPLASH splash10-056r-9600000000-2f3cd746738019b12d97
Synonyms 3-Amino-2-[(4-bromophenyl)-oxomethyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester Ethyl 3-amino-2-(4-bromobenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate Ethyl 3-azanyl-2-(4-bromophenyl)carbonyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylate
Wiley ID 1446961