Chem
J-GLOBAL ID：200907060441106974   Nikkaji number：J342.069H

(3S)-3,4-Dihydro-3β-hydroxy-2,2-dimethyl-4-[3-methyl(thioureido)]-2H-1-benzopyran-6-carbonitrile

1-[(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]-3-メチルチオ尿素
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： C14H17N3O2S
Molecular formula furigana： C14-H17-N3-O2-S
Molecular weight： 291.370
InChI： InChI=1S/C14H17N3O2S/c1-14(2)12(18)11(17-13(20)16-3)9-6-8(7-15)4-5-10(9)19-14/h4-6,11-12,18H,1-3H3,(H2,16,17,20)/t11?,12-/m0/s1
InChI key： PQOQLEDUQYETHS-KIYNQFGBSA-N
SMILES： CNC(=S)NC1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N
Systematic name  (3)：
  • (3S)-3,4-ジヒドロ-3β-ヒドロキシ-2,2-ジメチル-4-[3-メチル(チオウレイド)]-2H-1-ベンゾピラン-6-カルボニトリル
  • 1-[(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]-3-メチルチオ尿素
  • 1-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3-methylthiourea
Other name (1)：
  • (3S)-3,4-Dihydro-3β-hydroxy-2,2-dimethyl-4-[3-methyl(thioureido)]-2H-1-benzopyran-6-carbonitrile
Thsaurus map：
Thesaurus Map

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