Methyl (2E,4R,5S,6E)-7-(2'-Isopropyl-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-(2-isopropylthiazol-4-yl)thiazol-4-yl]-3,5-dimethoxy-4-methyl-hepta-2,6-dienoate
Molecular Mass 422.561 g·mol−1
Heat of Formation -404.0 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 523.15 Å 3
Surface Area 426.01 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4r,5s,6e)-7-[2-(2-isopropyl-4-thiazolyl)-4-thiazolyl]-3,5-dimethoxy-4-methylhepta-2,6-dienoic acid methyl ester
  • (2e,4r,5s,6e)-7-[2-(2-isopropylthiazol-4-yl)thiazol-4-yl]-3,5-dimethoxy-4-methyl-hepta-2,6-dienoic acid methyl ester
  • cystothiazole a
  • melithiazole e
  • methyl (2e,4r,5s,6e)-3,5-dimethoxy-4-methyl-7-[2-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]hepta-2,6-dienoate
  • methyl (2e,4r,5s,6e)-7-[2-(2-isopropylthiazol-4-yl)thiazol-4-yl]-3,5-dimethoxy-4-methyl-hepta-2,6-dienoate
InChIKey LRTJMINIVSPVMX-ZVJWTWILSA-N
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