(2S)-({(5Z)-5-[(5-Ethyl-2-Furyl)Methylene]-4-Oxo-4,5-Dihydro-1,3-Thiazol-2-Yl}Amino)(4-Fluorophenyl)Acetic Acid

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Properties Simple | Detailed

Formula C18H15FN2O4S
IUPAC Name (2s)-2-[[(5z)-5-[(5-ethyl-2-furyl)methylene]-4-oxo-thiazol-2-yl]amino]-2-(4-fluorophenyl)acetic acid
Molecular Mass 374.386 g·mol−1
Heat of Formation -526.5 ± 16.7 kJ·mol−1
Dipole Moment 7.01 ± 1.08 D
Volume 411.89 Å 3
Surface Area 372.08 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(5z)-5-[(5-ethyl-2-furyl)methylene]-4-keto-thiazol-2-yl]amino]-2-(4-fluorophenyl)acetic acid
  • (2s)-2-[[(5z)-5-[(5-ethyl-2-furyl)methylene]-4-oxo-2-thiazolyl]amino]-2-(4-fluorophenyl)acetic acid
  • (2s)-2-[[(5z)-5-[(5-ethyl-2-furyl)methylene]-4-oxo-thiazol-2-yl]amino]-2-(4-fluorophenyl)acetic acid
  • (2s)-2-[[(5z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-2-(4-fluorophenyl)acetic acid
  • (2s)-2-[[(5z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-2-(4-fluorophenyl)ethanoic acid
InChIKey RNEACARJKXYVND-MZLJFPOFSA-N
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