Chem
J-GLOBAL ID：200907022050337867   Nikkaji number：J939.985B

Cystothiazole B

シストチアゾールB
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C20H26N2O5S2
Molecular formula furigana： C20-H26-N2-O5-S2
Molecular weight： 438.560
InChI： InChI=1S/C20H26N2O5S2/c1-12(16(26-5)9-17(23)27-6)15(25-4)8-7-13-10-28-18(21-13)14-11-29-19(22-14)20(2,3)24/h7-12,15,24H,1-6H3/b8-7+,16-9+/t12-,15+/m1/s1
InChI key： DEBRBEDKRGQAPL-RPKNRIRISA-N
SMILES： CO[C@@H](/C=C/c1csc(n1)c1csc(n1)C(C)(C)O)[C@@H](C)/C(=C\C(=O)OC)/OC
Systematic name  (3)：
  • (2E,4R,5S,6E)-3,5-ジメトキシ-4-メチル-7-[2′-(1-ヒドロキシ-1-メチルエチル)-2,4′-ビチアゾール-4-イル]-2,6-ヘプタジエン酸メチル
  • メチル (2E,4R,5S,6E)-7-{2-[2-(2-ヒドロキシプロパン-2-イル)-1,3-チアゾール-4-イル]-1,3-チアゾール-4-イル}-3,5-ジメトキシ-4-メチルヘプタ-2,6-ジエノアート
  • methyl (2E,4R,5S,6E)-7-{2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl}-3,5-dimethoxy-4-methylhepta-2,6-dienoate
Other name (3)：
  • シストチアゾールB
  • Cystothiazole B
  • (2E,4R,5S,6E)-3,5-Dimethoxy-4-methyl-7-[2′-(1-hydroxy-1-methylethyl)-2,4′-bithiazol-4-yl]-2,6-heptadienoic acid methyl ester
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