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2-(5-(4-Bromophenyl)furfurylidene)-5-(4-methylthiophenyl)-6-carbethoxy-7-methyl-5H-thiazolo[2,3-b]pyrimidin-3-one
SpectraBase Compound ID 4cu7xqWIDP4
InChI InChI=1S/C28H23BrN2O4S2/c1-4-34-27(33)24-16(2)30-28-31(25(24)18-7-12-21(36-3)13-8-18)26(32)23(37-28)15-20-11-14-22(35-20)17-5-9-19(29)10-6-17/h5-15,25H,4H2,1-3H3/b23-15+
InChIKey VHLDDORBWSXFLG-HZHRSRAPSA-N
Mol Weight 595.53 g/mol
Molecular Formula C28H23BrN2O4S2
Exact Mass 594.028263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9T4LbnOEQPZ
Name 2-(5-(4-Bromophenyl)furfurylidene)-5-(4-methylthiophenyl)-6-carbethoxy-7-methyl-5H-thiazolo[2,3-b]pyrimidin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H23BrN2O4S2
InChI InChI=1S/C28H23BrN2O4S2/c1-4-34-27(33)24-16(2)30-28-31(25(24)18-7-12-21(36-3)13-8-18)26(32)23(37-28)15-20-11-14-22(35-20)17-5-9-19(29)10-6-17/h5-15,25H,4H2,1-3H3/b23-15+
InChIKey VHLDDORBWSXFLG-HZHRSRAPSA-N
Molecular Weight 595.526 g/mol
SMILES C1=2N(C(C(=C(N2)C)C(=O)OCC)c2ccc(cc2)SC)C(\C(S1)=C/c1ccc(o1)-c1ccc(cc1)Br)=O
SPLASH splash10-0072-0713390000-e5af56ad0886c51a166c
Source of Spectrum U1-42-384-3c
Synonyms (E)-ethyl 2-((5-(4-bromophenyl)furan-2-yl)methylene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Wiley ID 1735305