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3-[(5E)-5-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid
SpectraBase Compound ID DS6i2VQVdcX
InChI InChI=1S/C14H12BrNO5S2/c1-21-9-5-7(4-8(15)12(9)19)6-10-13(20)16(14(22)23-10)3-2-11(17)18/h4-6,19H,2-3H2,1H3,(H,17,18)/b10-6+
InChIKey CVJBTEGPSKKVNI-UXBLZVDNSA-N
Mol Weight 418.28 g/mol
Molecular Formula C14H12BrNO5S2
Exact Mass 416.934028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4s5Kpuq0nY
Name 3-[(5E)-5-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid
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Formula C14H12BrNO5S2
InChI InChI=1S/C14H12BrNO5S2/c1-21-9-5-7(4-8(15)12(9)19)6-10-13(20)16(14(22)23-10)3-2-11(17)18/h4-6,19H,2-3H2,1H3,(H,17,18)/b10-6+
InChIKey CVJBTEGPSKKVNI-UXBLZVDNSA-N
Molecular Weight 418.276 g/mol
SMILES Oc1c(cc(\C=C/2SC(N(CCC(=O)O)C2=O)=S)cc1OC)Br
SPLASH splash10-0903-6190100000-1897d3c3506a5826c2da
Synonyms 3-[(5E)-5-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid 3-[(5E)-5-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid 3-[(5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid 3-[(5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid
Wiley ID 1444944