2-Hydroxy-4-[(4-{(5Z)-5-[(2E)-2-Methyl-3-Phenyl-2-Propen-1-Ylidene]-4-Oxo-2-Thioxo-1,3-Thiazolidin-3-Yl}Butanoyl)Amino]Benzoic Acid

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Properties Simple | Detailed

Formula C24H22N2O5S2
IUPAC Name 2-hydroxy-4-[4-[(5z)-5-[(e)-2-methyl-3-phenyl-prop-2-enylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid
Molecular Mass 482.572 g·mol−1
Heat of Formation -584.7 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 550.07 Å 3
Surface Area 483.95 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 1.35 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-4-({4-[5-(2-methyl-3-phenyl-2-propen-1-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoic acid
  • 2-hydroxy-4-[4-[(5z)-4-keto-5-[(e)-2-methyl-3-phenyl-prop-2-enylidene]-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid
  • 2-hydroxy-4-[4-[(5z)-5-[(e)-2-methyl-3-phenyl-prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
  • 2-hydroxy-4-[4-[(5z)-5-[(e)-2-methyl-3-phenyl-prop-2-enylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid
  • 2-hydroxy-4-[4-[(5z)-5-[(e)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
  • 2-hydroxy-4-[4-[4-keto-5-(2-methyl-3-phenyl-prop-2-enylidene)-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid
  • 2-hydroxy-4-[4-[5-(2-methyl-3-phenyl-prop-2-enylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
  • 2-hydroxy-4-[4-[5-(2-methyl-3-phenyl-prop-2-enylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid
  • 2-hydroxy-4-[4-[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
  • 2-hydroxy-4-[[4-[(5z)-5-[(e)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid
  • 2-hydroxy-4-[[4-[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid
InChIKey COFMYJWNXSFLKQ-QIROLCGISA-N
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