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Home> Encyclopedia > Hot Product Listed 2   > 2-chloro-5-[[5-[[5-(4,5-dimethyl-2-nitrophenyl)-2-furanyl]methylene]-4,5-dihydro-4-oxo-2-thiazolyl]a...
331002-70-1 structure

2-chloro-5-[[5-[[5-(4,5-dimethyl-2-nitrophenyl)-2-furanyl]methylene]-4,5-dihydro-4-oxo-2-thiazolyl]amino]benzoic acid

Iupac Name:2-chloro-5-[[(5E)-5-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid
CAS No.:331002-70-1
Molecular Weight:497.906
Molecular Formula:C23H16ClN3O6S (isomer)
Names and Identifiers
Synonyms

2-chloro-5-[(5-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)amino]benzoic acid 2-chloro-5-{[(2z,5e)-5-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid 2-chloro-5-{[(5e)-5-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid AKOS005138126 AKOS005138127 ampk activator pt 1 CHEBI:139579 CHEMBL2398111 MOLPORT-018-617-230 MOLPORT-018-617-231 pt 1 SCHEMBL16407002 STL367850 STL367851 ZINC33909199

Inchi
InChI=1S/C23H16ClN3O6S/c1-11-7-16(18(27(31)32)8-12(11)2)19-6-4-14(33-19)10-20-21(28)26-23(34-20)25-13-3-5-17(24)15(9-13)22(29)30/h3-10H,1-2H3,(H,29,30)(H,25,26,28)/b20-10+
InChkey
RTHRCOIONCZINZ-KEBDBYFISA-N
Canonical Smiles
CC1=C(C=C(C(=C1)C2=CC=C(O2)C=C3C(=O)N=C(S3)NC4=CC(=C(C=C4)Cl)C(=O)O)[N+](=O)[O-])C
Computational chemical data
  • Molecular Weight:497.906g/mol
  • Molecular Formula:C23H16ClN3O6S
  • Compound Is Canonicalized:True
  • Exact Mass:497.045
  • Monoisotopic Mass:497.045
  • Complexity:892
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:163A^2
  • Heavy Atom Count:34
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7OABEAAAAAAAAAAAAAAAAASIAAAAwYAAAAAAAAAAB0AAAHgYUCAAADA6B2CAzzILQRkip AqXSfwCCGAFlJxApiAEGbsoMJjrFv5uGeajm0BFI/ce8yPCOyABCQAATAACQAISAACYAAAAAAAAA AA==
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