Chem
J-GLOBAL ID：200907099963504078
Nikkaji number：J342.036A
2-[[(3S)-3,4-Dihydro-6-cyano-3β-hydroxy-2,2-dimethyl-2H-1-benzopyran]-4-ylamino]glyoxylic acid ethyl ester
エチル {[(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]カルバモイル}ホルマート
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
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
Molecular formula： C16H18N2O5
Molecular formula furigana： C16-H18-N2-O5
Molecular weight： 318.329
InChI：
InChI=1S/C16H18N2O5/c1-4-22-15(21)14(20)18-12-10-7-9(8-17)5-6-11(10)23-16(2,3)13(12)19/h5-7,12-13,19H,4H2,1-3H3,(H,18,20)/t12?,13-/m0/s1
InChI key：
YLQDJRDANYFWOG-ABLWVSNPSA-N
SMILES：
CCOC(=O)C(=O)NC1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N
Systematic name (3)：
- 2-[[(3S)-3,4-ジヒドロ-6-シアノ-3β-ヒドロキシ-2,2-ジメチル-2H-1-ベンゾピラン]-4-イルアミノ]グリオキシル酸エチル
- エチル {[(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]カルバモイル}ホルマート
- ethyl {[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}formate
- 2-[[(3S)-3,4-Dihydro-6-cyano-3β-hydroxy-2,2-dimethyl-2H-1-benzopyran]-4-ylamino]glyoxylic acid ethyl ester
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