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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > thiophenecarboxylic acid > 4-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-4-oxo-2-butenoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > thiophenecarboxylic acid > 4-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-4-oxo-2-butenoic acid

Preferred term

4-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-4-oxo-2-butenoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C18H17NO5S

inchi

  • InChI=1S/C18H17NO5S/c1-3-24-18(23)16-15(12-7-5-4-6-8-12)11(2)25-17(16)19-13(20)9-10-14(21)22/h4-10H,3H2,1-2H3,(H,19,20)(H,21,22)

inchikey

  • YZTLNHLIDQNAAU-UHFFFAOYSA-N

mass

  • 359.398

monoisotopicmass

  • 359.08274

smiles

  • CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C=CC(=O)O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:105641

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