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2-keto-2-[[(5Z)-4-keto-5-[(4-ketochromen-3-yl)methylene]-2-thioxo-thiazolidin-3-yl]amino]acetic acid methyl ester
SpectraBase Compound ID 78lFk6RU7et
InChI InChI=1S/C16H10N2O6S2/c1-23-15(22)13(20)17-18-14(21)11(26-16(18)25)6-8-7-24-10-5-3-2-4-9(10)12(8)19/h2-7H,1H3,(H,17,20)/b11-6-
InChIKey YZXXGOLVHFYJLD-WDZFZDKYSA-N
Mol Weight 390.38 g/mol
Molecular Formula C16H10N2O6S2
Exact Mass 389.998028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HtbAt5tnDxC
Name 2-keto-2-[[(5Z)-4-keto-5-[(4-ketochromen-3-yl)methylene]-2-thioxo-thiazolidin-3-yl]amino]acetic acid methyl ester
Alternate Name(s) 2-oxo-2-[[(5Z)-4-oxo-5-[(4-oxo-1-benzopyran-3-yl)methylidene]-2-sulfanylidene-3-thiazolidinyl]amino]acetic acid methyl ester methyl 2-oxidanylidene-2-[[(5Z)-4-oxidanylidene-5-[(4-oxidanylidenechromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]ethanoate methyl 2-oxo-2-[[(5Z)-4-oxo-5-[(4-oxochromen-3-yl)methylene]-2-thioxo-thiazolidin-3-yl]amino]acetate methyl 2-oxo-2-[[(5Z)-4-oxo-5-[(4-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]acetate
Comments Less than 3 mono-isotopic peaks
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Formula C16H10N2O6S2
InChI InChI=1S/C16H10N2O6S2/c1-23-15(22)13(20)17-18-14(21)11(26-16(18)25)6-8-7-24-10-5-3-2-4-9(10)12(8)19/h2-7H,1H3,(H,17,20)/b11-6-
InChIKey YZXXGOLVHFYJLD-WDZFZDKYSA-N
Molecular Weight 390.384 g/mol
SMILES N(N1C(\C(=C\C=2C(c3ccccc3OC2)=O)SC1=S)=O)C(C(=O)OC)=O
SPLASH splash10-0udi-0092000000-bc9c0cc4bfb5a0d46a1b
Source of Spectrum Y-32-1022-3
Wiley ID 1364535