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2-(4-Methoxybenzylidene)-5-(4-methylthiophenyl)-6-carbethoxy-7-methyl-5H-thiazolo[2,3-b]pyrimidin-3-one
SpectraBase Compound ID Ai1lAfvqfpa
InChI InChI=1S/C25H24N2O4S2/c1-5-31-24(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(30-3)11-7-16/h6-14,22H,5H2,1-4H3/b20-14+
InChIKey NPCNOTSOLVEFNN-XSFVSMFZSA-N
Mol Weight 480.6 g/mol
Molecular Formula C25H24N2O4S2
Exact Mass 480.11775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjSO2sEqqI3
Name 2-(4-Methoxybenzylidene)-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 C25H24N2O4S2
InChI InChI=1S/C25H24N2O4S2/c1-5-31-24(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(30-3)11-7-16/h6-14,22H,5H2,1-4H3/b20-14+
InChIKey NPCNOTSOLVEFNN-XSFVSMFZSA-N
Molecular Weight 480.597 g/mol
SMILES C1=2N(C(C(=C(N2)C)C(=O)OCC)c2ccc(cc2)SC)C(\C(S1)=C/c1ccc(cc1)OC)=O
SPLASH splash10-053r-0719700000-db82154b8555ac63f252
Source of Spectrum EMC-42-383-2b
Synonyms 2-(4-Methoxybenzylidene)-5-(4-methylthiophenyl)-6-carbethoxy-7-methyl-5Hthiazolo[2,3-b]pyrimidin-3-one (E)-ethyl 2-(4-methoxybenzylidene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (2E)-2-[(4-methoxyphenyl)methylidene]-7-methyl-5-[4-(methylthio)phenyl]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Ethyl (2E)-2-[(4-methoxyphenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Ethyl (2E)-2-[(4-methoxyphenyl)methylene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate Ethyl (2E)-2-[(4-methoxyphenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Wiley ID 1735307