2,2-Diethyl-4-({3-[(E)-2-(4-Isopropyl-1,3-Thiazol-2-Yl)Vinyl]Phenyl}Amino)-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C22H28N2O3S
IUPAC Name 2,2-diethyl-4-[3-[(e)-2-(4-isopropylthiazol-2-yl)vinyl]anilino]-4-oxo-butanoic acid
Molecular Mass 400.534 g·mol−1
Heat of Formation -455.3 ± 16.7 kJ·mol−1
Dipole Moment 1.03 ± 1.08 D
Volume 498.2 Å 3
Surface Area 438.17 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-diethyl-3'-(2-(2-(4-isopropyl)thiazolyl)ethenyl)succinanilic acid
  • 2,2-diethyl-4-[[3-[(e)-2-(4-isopropyl-2-thiazolyl)vinyl]phenyl]amino]-4-oxobutanoic acid
  • 2,2-diethyl-4-[[3-[(e)-2-(4-isopropylthiazol-2-yl)vinyl]phenyl]amino]-4-keto-butyric acid
  • 2,2-diethyl-4-[[3-[(e)-2-(4-isopropylthiazol-2-yl)vinyl]phenyl]amino]-4-oxo-butanoic acid
  • 2,2-diethyl-4-oxo-4-[[3-[(e)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]phenyl]amino]butanoic acid
  • butanoic acid, 2,2-diethyl-4-((3-(2-(4-(1-methylethyl)-2-thiazolyl)ethenyl)phenyl)amino)-4-oxo-, (e)-
  • butanoic acid, 2,2-diethyl-4-(3-(2-(4-(1-methylethyl)-2-thiazolyl)ethenyl)amino)-4-oxo-, (e)-
  • mci 826
  • mci-826
CAS Number(s)
  • 140646-80-6
InChIKey PGLNVMJTDKEOBE-ZHACJKMWSA-N
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