Methyl (2E,4R,5S,6E)-7-[(4'S)-2'-Isopropenyl-4',5'-Dihydro-2,4'-Bi-1,3-Thiazol-4-Yl]-3,5-Dimethoxy-4-Methyl-2,6-Heptadienoate

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Properties Simple | Detailed

Formula C20H26N2O4S2
IUPAC Name methyl (2e,4r,5s,6e)-7-[2-[(4s)-2-isopropenyl-4,5-dihydrothiazol-4-yl]thiazol-4-yl]-3,5-dimethoxy-4-methyl-hepta-2,6-dienoate
Molecular Mass 422.561 g·mol−1
Heat of Formation -365.4 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 524.78 Å 3
Surface Area 403.25 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4r,5s,6e)-7-[2-[(4s)-2-isopropenyl-4,5-dihydrothiazol-4-yl]-4-thiazolyl]-3,5-dimethoxy-4-methylhepta-2,6-dienoic acid methyl ester
  • (2e,4r,5s,6e)-7-[2-[(4s)-2-isopropenyl-4,5-dihydrothiazol-4-yl]thiazol-4-yl]-3,5-dimethoxy-4-methyl-hepta-2,6-dienoic acid methyl ester
  • methyl (2e,4r,5s,6e)-7-[2-[(4s)-2-isopropenyl-4,5-dihydrothiazol-4-yl]thiazol-4-yl]-3,5-dimethoxy-4-methyl-hepta-2,6-dienoate
InChIKey ANGKCYLBHBLXFP-NOVXTXEHSA-N
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