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2-(4-Methylthiobenzylidene)-5-(4-methylthiophenyl)-6-carbethoxy-7-methyl-5H-thiazolo[2,3-b]pyrimidin-3-one
SpectraBase Compound ID LMEuxyp0rH6
InChI InChI=1S/C25H24N2O3S3/c1-5-30-24(29)21-15(2)26-25-27(22(21)17-8-12-19(32-4)13-9-17)23(28)20(33-25)14-16-6-10-18(31-3)11-7-16/h6-14,22H,5H2,1-4H3/b20-14+
InChIKey WKMXYIKYILIQNF-XSFVSMFZSA-N
Mol Weight 496.66 g/mol
Molecular Formula C25H24N2O3S3
Exact Mass 496.094906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5APL5osQfQ
Name 2-(4-Methylthiobenzylidene)-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 C25H24N2O3S3
InChI InChI=1S/C25H24N2O3S3/c1-5-30-24(29)21-15(2)26-25-27(22(21)17-8-12-19(32-4)13-9-17)23(28)20(33-25)14-16-6-10-18(31-3)11-7-16/h6-14,22H,5H2,1-4H3/b20-14+
InChIKey WKMXYIKYILIQNF-XSFVSMFZSA-N
Molecular Weight 496.658 g/mol
SMILES C1=2N(C(C(=C(N2)C)C(=O)OCC)c2ccc(cc2)SC)C(\C(S1)=C/c1ccc(cc1)SC)=O
SPLASH splash10-0002-0403900000-97ef78d8607b4fe54ede
Source of Spectrum EMC-42-383-2a
Synonyms 2-(4-Methylthiobenzylidene)-5-(4-methylthiophenyl)-6-carbethoxy-7-methyl-5Hthiazolo[2,3-b]pyrimidin-3-one (E)-ethyl 7-methyl-2-(4-(methylthio)benzylidene)-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (2E)-7-methyl-5-[4-(methylthio)phenyl]-2-[[4-(methylthio)phenyl]methylidene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Ethyl (2E)-7-methyl-5-(4-methylsulfanylphenyl)-2-[(4-methylsulfanylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Ethyl (2E)-7-methyl-5-(4-methylsulfanylphenyl)-2-[(4-methylsulfanylphenyl)methylene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate Ethyl (2E)-7-methyl-5-(4-methylsulfanylphenyl)-2-[(4-methylsulfanylphenyl)methylidene]-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Wiley ID 1735308