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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > 6-amino-4-(5-chloro-2-thiophenyl)-5-cyano-2-phenyl-4h-pyran-3-carboxylic acid ethyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > 6-amino-4-(5-chloro-2-thiophenyl)-5-cyano-2-phenyl-4h-pyran-3-carboxylic acid ethyl ester

Preferred term

6-amino-4-(5-chloro-2-thiophenyl)-5-cyano-2-phenyl-4h-pyran-3-carboxylic acid ethyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C19H15ClN2O3S

inchi

  • InChI=1S/C19H15ClN2O3S/c1-2-24-19(23)16-15(13-8-9-14(20)26-13)12(10-21)18(22)25-17(16)11-6-4-3-5-7-11/h3-9,15H,2,22H2,1H3

inchikey

  • GUPQZTILNQCEQJ-UHFFFAOYSA-N

mass

  • 386.854

monoisotopicmass

  • 386.04919

smiles

  • CCOC(=O)C1=C(OC(=C(C1C2=CC=C(S2)Cl)C#N)N)C3=CC=CC=C3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:116568

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