Chem
J-GLOBAL ID：200907003272004659   Nikkaji number：J1.634.857K

(S)-Monastrol

(S)-モナストロール
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： C14H16N2O3S
Molecular formula furigana： C14-H16-N2-O3-S
Molecular weight： 292.350
InChI： InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)/t12-/m0/s1
InChI key： LOBCDGHHHHGHFA-LBPRGKRZSA-N
SMILES： CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(O)c1
Systematic name  (4)：
  • (4S)-2-チオキソ-4β-(3-ヒドロキシフェニル)-6-メチル-1,2,3,4-テトラヒドロピリミジン-5-カルボン酸エチル
  • (4S)-2-チオキソ-4-(3-ヒドロキシフェニル)-6-メチル-1,2,3,4-テトラヒドロピリミジン-5-カルボン酸エチル
  • エチル (4S)-4-(3-ヒドロキシフェニル)-6-メチル-2-スルファニリデン-1,2,3,4-テトラヒドロピリミジン-5-カルボキシラート
  • ethyl (4S)-4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Other name (4)：
  • (4S)-2-Thioxo-4β-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester
  • (4S)-2-Thioxo-4-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester
  • (S)-モナストロール
  • (S)-Monastrol
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