Chem
J-GLOBAL ID：200907070619380841   Nikkaji number：J342.046I

(3S)-4-Thioacetylamino-3,4-dihydro-3β-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carbonitrile

(3S)-4-チオアセチルアミノ-3,4-ジヒドロ-3β-ヒドロキシ-2,2-ジメチル-2H-1-ベンゾピラン-6-カルボニトリル
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： C14H16N2O2S
Molecular formula furigana： C14-H16-N2-O2-S
Molecular weight： 276.350
InChI： InChI=1S/C14H16N2O2S/c1-8(19)16-12-10-6-9(7-15)4-5-11(10)18-14(2,3)13(12)17/h4-6,12-13,17H,1-3H3,(H,16,19)/t12?,13-/m0/s1
InChI key： CSWVFCFZHMHKIP-ABLWVSNPSA-N
SMILES： CC(=S)NC1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N
Systematic name  (3)：
  • (3S)-4-チオアセチルアミノ-3,4-ジヒドロ-3β-ヒドロキシ-2,2-ジメチル-2H-1-ベンゾピラン-6-カルボニトリル
  • N-[(3S)-6-シアノ-3-ヒドロキシ-2,2-ジメチル-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]エタンチオアミド
  • N-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]ethanethioamide
Other name (1)：
  • (3S)-4-Thioacetylamino-3,4-dihydro-3β-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carbonitrile
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