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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > monocarboxylic acid amide > 3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
organooxygen compound > carboxamide > monocarboxylic acid amide > 3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > monocarboxylic acid amide > 3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organosulfur heterocyclic compound > thiophenes > 3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
organic heterocyclic compound > organosulfur heterocyclic compound > thiophenes > 3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid

Preferred term

3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid  

Type

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

Broader concept

alt_id

  • CHEBI:36784
  • CHEBI:377577
  • CHEBI:43539

charge

  • 0

formula

  • C22H21NO3S

has_role

inchi

  • InChI=1S/C22H21NO3S/c1-14(2)23(21(24)17-11-9-15(3)10-12-17)18-13-19(27-20(18)22(25)26)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,25,26)

inchikey

  • LRHXIDOGMBZJFN-UHFFFAOYSA-N

mass

  • 379.47308

monoisotopicmass

  • 379.12421

smiles

  • CC(C)N(C(=O)c1ccc(C)cc1)c1cc(sc1C(O)=O)-c1ccccc1

subset

  • 3_STAR

synonym EXACT

  • 3-[(4-methylbenzoyl)(propan-2-yl)amino]-5-phenylthiophene-2-carboxylic acid
  • 3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
  • 3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID

synonym RELATED

  • 3-[Isopropyl-(4-methyl-benzoyl)-amino]-5-phenyl-thiophene-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:43541

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