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CHEBI:116644 - 3-chloro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester

ChEBI IDCHEBI:116644
ChEBI Name3-chloro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester
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FormulaC19H12ClNO5S
Net Charge0
Average Mass401.827
Monoisotopic Mass401.01247
SMILESO=C1COc2ccc(C(=O)COC(=O)c3sc4ccccc4c3Cl)cc2N1
InChIInChI=1S/C19H12ClNO5S/c20-17-11-3-1-2-4-15(11)27-18(17)19(24)26-8-13(22)10-5-6-14-12(7-10)21-16(23)9-25-14/h1-7H,8-9H2,(H,21,23)
InChIKeyCQFMERDFIJAWPC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-chloro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester (CHEBI:116644) is a benzoxazine (CHEBI:46969)
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