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CHEBI:121709 - 2-(3-thiophenyl)acetic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester

ChEBI IDCHEBI:121709
ChEBI Name2-(3-thiophenyl)acetic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester
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DownloadsMolfile
FormulaC16H13NO5S
Net Charge0
Average Mass331.349
Monoisotopic Mass331.05144
SMILESO=C1COc2ccc(C(=O)COC(=O)Cc3ccsc3)cc2N1
InChIInChI=1S/C16H13NO5S/c18-13(7-22-16(20)5-10-3-4-23-9-10)11-1-2-14-12(6-11)17-15(19)8-21-14/h1-4,6,9H,5,7-8H2,(H,17,19)
InChIKeyRPBLBXIJFQOTJW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(3-thiophenyl)acetic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester (CHEBI:121709) is a benzoxazine (CHEBI:46969)
Manual XrefsDatabases
LSM-33152LINCS