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3-keto-3-[[(5Z)-4-keto-5-[(E)-2-methyl-3-phenyl-prop-2-enylidene]-2-thioxo-thiazolidin-3-yl]amino]propionic acid ethyl ester
SpectraBase Compound ID 14m990IubMp
InChI InChI=1S/C18H18N2O4S2/c1-3-24-16(22)11-15(21)19-20-17(23)14(26-18(20)25)10-12(2)9-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3,(H,19,21)/b12-9+,14-10-
InChIKey PURMNALJUOGNIO-FNIWZSMSSA-N
Mol Weight 390.47 g/mol
Molecular Formula C18H18N2O4S2
Exact Mass 390.070799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuK5QjSnNaI
Name 3-keto-3-[[(5Z)-4-keto-5-[(E)-2-methyl-3-phenyl-prop-2-enylidene]-2-thioxo-thiazolidin-3-yl]amino]propionic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C18H18N2O4S2
InChI InChI=1S/C18H18N2O4S2/c1-3-24-16(22)11-15(21)19-20-17(23)14(26-18(20)25)10-12(2)9-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3,(H,19,21)/b12-9+,14-10-
InChIKey PURMNALJUOGNIO-FNIWZSMSSA-N
Molecular Weight 390.472 g/mol
SMILES N(N1C(\C(=C\C(=C\c2ccccc2)C)SC1=S)=O)C(CC(=O)OCC)=O
SPLASH splash10-00di-0903000000-93be8a55da74f1d76b3e
Source of Spectrum Y-32-1022-3
Synonyms 3-[[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]amino]-3-oxopropanoic acid ethyl ester ethyl 3-[[(5Z)-5-[(E)-2-methyl-3-phenyl-prop-2-enylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]-3-oxidanylidene-propanoate ethyl 3-[[(5Z)-5-[(E)-2-methyl-3-phenyl-prop-2-enylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]amino]-3-oxo-propanoate ethyl 3-[[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]-3-oxopropanoate
Wiley ID 1364636