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(2E)-5-(4-chlorophenyl)-2-[(2-ethyl-3-pyrazolyl)methylidene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
SpectraBase Compound ID JdpLn4tlwom
InChI InChI=1S/C22H21ClN4O3S/c1-4-26-16(10-11-24-26)12-17-20(28)27-19(14-6-8-15(23)9-7-14)18(21(29)30-5-2)13(3)25-22(27)31-17/h6-12,19H,4-5H2,1-3H3/b17-12+
InChIKey HIPOPVQFZOWDDB-SFQUDFHCSA-N
Mol Weight 456.95 g/mol
Molecular Formula C22H21ClN4O3S
Exact Mass 456.102289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39G2ERkm3fq
Name (2E)-5-(4-chlorophenyl)-2-[(2-ethyl-3-pyrazolyl)methylidene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
Alternate Name(s) (2E)-5-(4-chlorophenyl)-2-[(2-ethylpyrazol-3-yl)methylene]-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Ethyl (2E)-5-(4-chlorophenyl)-2-[(2-ethylpyrazol-3-yl)methylene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate Ethyl (2E)-5-(4-chlorophenyl)-2-[(2-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Ethyl (2E)-5-(4-chlorophenyl)-2-[(2-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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Formula C22H21ClN4O3S
InChI InChI=1S/C22H21ClN4O3S/c1-4-26-16(10-11-24-26)12-17-20(28)27-19(14-6-8-15(23)9-7-14)18(21(29)30-5-2)13(3)25-22(27)31-17/h6-12,19H,4-5H2,1-3H3/b17-12+
InChIKey HIPOPVQFZOWDDB-SFQUDFHCSA-N
Molecular Weight 456.948 g/mol
SMILES CC[n]1c(\C=C/2C(=O)N3C(c4ccc(cc4)Cl)C(=C(C)N=C3S2)C(=O)OCC)ccn1
SPLASH splash10-00kb-7913000000-1c6476db1ee3ccb7015f
Wiley ID 1445463