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3-[(5E)-5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
SpectraBase Compound ID 1cwRmYXXn2Z
InChI InChI=1S/C14H10BrNO5S2/c15-8-5-10-9(20-6-21-10)3-7(8)4-11-13(19)16(14(22)23-11)2-1-12(17)18/h3-5H,1-2,6H2,(H,17,18)/b11-4+
InChIKey DEURBLWUSFYEQZ-NYYWCZLTSA-N
Mol Weight 416.26 g/mol
Molecular Formula C14H10BrNO5S2
Exact Mass 414.918378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID W099MhpFRb
Name 3-[(5E)-5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
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Formula C14H10BrNO5S2
InChI InChI=1S/C14H10BrNO5S2/c15-8-5-10-9(20-6-21-10)3-7(8)4-11-13(19)16(14(22)23-11)2-1-12(17)18/h3-5H,1-2,6H2,(H,17,18)/b11-4+
InChIKey DEURBLWUSFYEQZ-NYYWCZLTSA-N
Molecular Weight 416.260 g/mol
SMILES OC(CCN1C(S\C(C1=O)=C/c1c(cc2c(c1)OCO2)Br)=S)=O
SPLASH splash10-02ti-9410000000-584ebc5ea2153ef2bee7
Synonyms 3-[(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid 3-[(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid 3-[(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid 3-[(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid
Wiley ID 1466299