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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > alkylbenzene > 2-[[2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > alkylbenzene > 2-[[2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > alkylbenzene > 2-[[2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > alkylbenzene > 2-[[2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > arene > monocyclic arene > alkylbenzene > 2-[[2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > arene > monocyclic arene > alkylbenzene > 2-[[2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > cyclic hydrocarbon > arene > monocyclic arene > alkylbenzene > 2-[[2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > cyclic hydrocarbon > arene > monocyclic arene > alkylbenzene > 2-[[2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydrides > organic hydride > organic fundamental parent > hydrocarbon > cyclic hydrocarbon > arene > monocyclic arene > alkylbenzene > 2-[[2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid

Preferred term

2-[[2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C20H23NO5S2

inchi

  • InChI=1S/C20H23NO5S2/c1-20(2,3)13-7-5-12(6-8-13)15-9-14(18(28-15)19(25)26-4)21-16(22)10-27-11-17(23)24/h5-9H,10-11H2,1-4H3,(H,21,22)(H,23,24)

inchikey

  • QZLMIUVUIJWPFI-UHFFFAOYSA-N

mass

  • 421.533

monoisotopicmass

  • 421.10177

smiles

  • CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)OC)NC(=O)CSCC(=O)O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:107268

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