skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

organooxygen compound > oxacycle > benzofurans > 5-[(2-cyanoethylthio)methyl]-2-benzofurancarboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzofurans > 5-[(2-cyanoethylthio)methyl]-2-benzofurancarboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzofurans > 5-[(2-cyanoethylthio)methyl]-2-benzofurancarboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzofurans > 5-[(2-cyanoethylthio)methyl]-2-benzofurancarboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzofurans > 5-[(2-cyanoethylthio)methyl]-2-benzofurancarboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzofurans > 5-[(2-cyanoethylthio)methyl]-2-benzofurancarboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzofurans > 5-[(2-cyanoethylthio)methyl]-2-benzofurancarboxylic acid

Preferred term

5-[(2-cyanoethylthio)methyl]-2-benzofurancarboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C13H11NO3S

inchi

  • InChI=1S/C13H11NO3S/c14-4-1-5-18-8-9-2-3-11-10(6-9)7-12(17-11)13(15)16/h2-3,6-7H,1,5,8H2,(H,15,16)

inchikey

  • JEPRUQPUBMTDSJ-UHFFFAOYSA-N

mass

  • 261.298

monoisotopicmass

  • 261.04596

smiles

  • C1=CC2=C(C=C1CSCCC#N)C=C(O2)C(=O)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:94144

Download this concept:

RDF/XML TURTLE JSON-LD