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Concept information

organooxygen compound > oxacycle > benzoxazine > 2-(3-thiophenyl)acetic acid [2-oxo-2-(3-oxo-4h-1,4-benzoxazin-6-yl)ethyl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzoxazine > 2-(3-thiophenyl)acetic acid [2-oxo-2-(3-oxo-4h-1,4-benzoxazin-6-yl)ethyl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzoxazine > 2-(3-thiophenyl)acetic acid [2-oxo-2-(3-oxo-4h-1,4-benzoxazin-6-yl)ethyl] ester

Preferred term

2-(3-thiophenyl)acetic acid [2-oxo-2-(3-oxo-4h-1,4-benzoxazin-6-yl)ethyl] ester  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C16H13NO5S

inchi

  • InChI=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)

inchikey

  • RPBLBXIJFQOTJW-UHFFFAOYSA-N

mass

  • 331.345

monoisotopicmass

  • 331.05144

smiles

  • C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)CC3=CSC=C3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:121709

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