Chem
J-GLOBAL ID：200907074117169018   Nikkaji number：J342.047G

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

(3S)-6-シアノ-4-アセトアミド-2,2-ジメチル-3,4-ジヒドロ-2H-1-ベンゾピラン-3-イル アセタート
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： C16H18N2O4
Molecular formula furigana： C16-H18-N2-O4
Molecular weight： 302.330
InChI： InChI=1S/C16H18N2O4/c1-9(19)18-14-12-7-11(8-17)5-6-13(12)22-16(3,4)15(14)21-10(2)20/h5-7,14-15H,1-4H3,(H,18,19)/t14?,15-/m0/s1
InChI key： AFULKNVIHDMEBQ-LOACHALJSA-N
SMILES： CC(=O)NC1[C@H](OC(=O)C)C(C)(C)Oc2ccc(cc12)C#N
Systematic name  (3)：
  • (3S)-4-アセチルアミノ-3,4-ジヒドロ-3β-アセチルオキシ-2,2-ジメチル-2H-1-ベンゾピラン-6-カルボニトリル
  • (3S)-6-シアノ-4-アセトアミド-2,2-ジメチル-3,4-ジヒドロ-2H-1-ベンゾピラン-3-イル アセタート
  • (3S)-6-cyano-4-acetamido-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-yl acetate
Other name (1)：
  • (3S)-4-Acetylamino-3,4-dihydro-3β-acetyloxy-2,2-dimethyl-2H-1-benzopyran-6-carbonitrile
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