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Concept information

Preferred term

2-/{1-[2-(1-benzothiophen-5-ylamino)-2-oxoethyl]cyclohexyl/}acetic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C18H21NO3S

inchi

  • InChI=1S/C18H21NO3S/c20-16(11-18(12-17(21)22)7-2-1-3-8-18)19-14-4-5-15-13(10-14)6-9-23-15/h4-6,9-10H,1-3,7-8,11-12H2,(H,19,20)(H,21,22)

inchikey

  • PGPOKSLHDCLRLU-UHFFFAOYSA-N

mass

  • 331.430

monoisotopicmass

  • 331.12421

smiles

  • S1C2=C(C=C(NC(=O)CC3(CCCCC3)CC(O)=O)C=C2)C=C1

subset

  • 2_STAR

synonym EXACT

  • 2-[1-[2-(1-benzothiophen-5-ylamino)-2-oxoethyl]cyclohexyl]acetic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:192677

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