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(2E)-2-(2-chlorobenzylidene)-3-keto-5-(4-methoxyphenyl)-7-methyl-N-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
SpectraBase Compound ID 7MyxAZo3FRG
InChI InChI=1S/C28H22ClN3O3S/c1-17-24(26(33)31-20-9-4-3-5-10-20)25(18-12-14-21(35-2)15-13-18)32-27(34)23(36-28(32)30-17)16-19-8-6-7-11-22(19)29/h3-16,25H,1-2H3,(H,31,33)/b23-16+
InChIKey CDVLUGDGVMRLFU-XQNSMLJCSA-N
Mol Weight 516.02 g/mol
Molecular Formula C28H22ClN3O3S
Exact Mass 515.10704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50gRixFWKm
Name (2E)-2-(2-chlorobenzylidene)-3-keto-5-(4-methoxyphenyl)-7-methyl-N-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
Alternate Name(s) (2E)-2-[(2-chlorophenyl)methylene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide (2E)-2-[(2-chlorophenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxidanylidene-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (2E)-2-[(2-chlorophenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide (2E)-2-[(2-chlorophenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
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Formula C28H22ClN3O3S
InChI InChI=1S/C28H22ClN3O3S/c1-17-24(26(33)31-20-9-4-3-5-10-20)25(18-12-14-21(35-2)15-13-18)32-27(34)23(36-28(32)30-17)16-19-8-6-7-11-22(19)29/h3-16,25H,1-2H3,(H,31,33)/b23-16+
InChIKey CDVLUGDGVMRLFU-XQNSMLJCSA-N
Molecular Weight 516.015 g/mol
SMILES N(C(C=1C(N2C(=NC1C)S\C(C2=O)=C/c1c(Cl)cccc1)c1ccc(cc1)OC)=O)c1ccccc1
SPLASH splash10-0629-6900300000-12d8f3e0b380bf23603a
Wiley ID 1445268