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Concept information

organooxygen compound > oxacycle > benzoxazole > 2-(1,3-benzoxazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzoxazole > 2-(1,3-benzoxazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzoxazole > 2-(1,3-benzoxazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone

Preferred term

2-(1,3-benzoxazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone  

Type

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

Broader concept

charge

  • 0

formula

  • C18H18N2O2S

inchi

  • InChI=1S/C18H18N2O2S/c1-4-9-20-12(2)10-14(13(20)3)16(21)11-23-18-19-15-7-5-6-8-17(15)22-18/h4-8,10H,1,9,11H2,2-3H3

inchikey

  • VDZYKTVXIQGYID-UHFFFAOYSA-N

mass

  • 326.414

monoisotopicmass

  • 326.10890

smiles

  • CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3O2

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:109794

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