CHEBI:117124 - 5-(4-acetyloxy-3-methoxyphenyl)-2,7-dimethyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-(4-acetyloxy-3-methoxyphenyl)-2,7-dimethyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
ChEBI ID CHEBI:117124
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H22N2O6S
Net Charge 0
Average Mass 418.465
Monoisotopic Mass 418.11986
InChI InChI=1S/C20H22N2O6S/c1-6-27-19(25)16-10(2)21-20-22(18(24)11(3)29-20)17(16)13-7-8-14(28-12(4)23)15(9-13)26-5/h7-9,11,17H,6H2,1-5H3
InChIKey WOGUMTFKTTWWMP-UHFFFAOYSA-N
SMILES CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)C(S2)C)C
ChEBI Ontology
Outgoing 5-(4-acetyloxy-3-methoxyphenyl)-2,7-dimethyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester (CHEBI:117124) is a benzoate ester (CHEBI:36054)
5-(4-acetyloxy-3-methoxyphenyl)-2,7-dimethyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester (CHEBI:117124) is a phenols (CHEBI:33853)
Manual Xref Database
LSM-28573 LINCS
View more database links