CHEBI:112863 - 2-[(4-acetyloxy-3-ethoxyphenyl)methylidene]-7-methyl-3-oxo-5-(2-phenylethenyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester

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ChEBI Name 2-[(4-acetyloxy-3-ethoxyphenyl)methylidene]-7-methyl-3-oxo-5-(2-phenylethenyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
ChEBI ID CHEBI:112863
Stars This entity has been manually annotated by a third party.
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Formula C29H28N2O6S
Net Charge 0
Average Mass 532.610
Monoisotopic Mass 532.16681
InChI InChI=1S/C29H28N2O6S/c1-5-35-24-16-21(13-15-23(24)37-19(4)32)17-25-27(33)31-22(14-12-20-10-8-7-9-11-20)26(28(34)36-6-2)18(3)30-29(31)38-25/h7-17,22H,5-6H2,1-4H3
InChIKey OJXJFHGWKNZSAB-UHFFFAOYSA-N
SMILES CCOC1=C(C=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C=CC4=CC=CC=C4)OC(=O)C
ChEBI Ontology
Outgoing 2-[(4-acetyloxy-3-ethoxyphenyl)methylidene]-7-methyl-3-oxo-5-(2-phenylethenyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester (CHEBI:112863) is a benzoate ester (CHEBI:36054)
2-[(4-acetyloxy-3-ethoxyphenyl)methylidene]-7-methyl-3-oxo-5-(2-phenylethenyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester (CHEBI:112863) is a phenols (CHEBI:33853)
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