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(2Z)-2-[4-(cyanomethoxy)-3-methoxy-benzylidene]-3-keto-7-methyl-5-p-cumenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester
SpectraBase Compound ID 7vGWikPFqY5
InChI InChI=1S/C28H27N3O5S/c1-16(2)19-7-9-20(10-8-19)25-24(27(33)35-5)17(3)30-28-31(25)26(32)23(37-28)15-18-6-11-21(36-13-12-29)22(14-18)34-4/h6-11,14-16,25H,13H2,1-5H3/b23-15-
InChIKey JTPVDMVNAOFKNC-HAHDFKILSA-N
Mol Weight 517.6 g/mol
Molecular Formula C28H27N3O5S
Exact Mass 517.167142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANlaIkoalzx
Name (2Z)-2-[4-(cyanomethoxy)-3-methoxy-benzylidene]-3-keto-7-methyl-5-p-cumenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester
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Formula C28H27N3O5S
InChI InChI=1S/C28H27N3O5S/c1-16(2)19-7-9-20(10-8-19)25-24(27(33)35-5)17(3)30-28-31(25)26(32)23(37-28)15-18-6-11-21(36-13-12-29)22(14-18)34-4/h6-11,14-16,25H,13H2,1-5H3/b23-15-
InChIKey JTPVDMVNAOFKNC-HAHDFKILSA-N
Molecular Weight 517.600 g/mol
SMILES COc1cc(\C=C\2C(N3C(=NC(=C(C3c3ccc(cc3)C(C)C)C(=O)OC)C)S2)=O)ccc1OCC#N
SPLASH splash10-054n-4912000000-8829537637a21c4221cc
Synonyms (2Z)-2-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-ylphenyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester Methyl (2Z)-2-[[4-(cyanomethoxy)-3-methoxy-phenyl]methylene]-5-(4-isopropylphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate Methyl (2Z)-2-[[4-(cyanomethoxy)-3-methoxy-phenyl]methylidene]-7-methyl-3-oxidanylidene-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Methyl (2Z)-2-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Methyl 2-[4-(cyanomethoxy)-3-methoxybenzylidene]-5-(4-isopropylphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Wiley ID 1454408