Chem
J-GLOBAL ID：200907022456775695
Nikkaji number：J1.957.453I
3-[(2-Cyano-3-hydroxy-2-butenoyl)amino]-5-[1-methyl-3-oxo-3-(diethylamino)-1-propenyl]benzofuran-2-carboxylic acid ethyl ester
エチル 3-(2-シアノ-3-ヒドロキシブタ-2-エンアミド)-5-[1-(ジエチルカルバモイル)プロパ-1-エン-2-イル]-1-ベンゾフラン-2-カルボキシラート
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： C24H27N3O6
Molecular formula furigana： C24-H27-N3-O6
Molecular weight： 453.495
InChI：
InChI=1S/C24H27N3O6/c1-6-27(7-2)20(29)11-14(4)16-9-10-19-17(12-16)21(22(33-19)24(31)32-8-3)26-23(30)18(13-25)15(5)28/h9-12,28H,6-8H2,1-5H3,(H,26,30)
InChI key：
KXXOTKNNUXELRR-UHFFFAOYSA-N
SMILES：
CCOC(=O)c1oc2ccc(cc2c1NC(=O)C(=C(C)O)C#N)C(=CC(=O)N(CC)CC)C
Systematic name (3)：
- 3-[(2-シアノ-3-ヒドロキシ-2-ブテノイル)アミノ]-5-[1-メチル-3-オキソ-3-(ジエチルアミノ)-1-プロペニル]ベンゾフラン-2-カルボン酸エチル
- エチル 3-(2-シアノ-3-ヒドロキシブタ-2-エンアミド)-5-[1-(ジエチルカルバモイル)プロパ-1-エン-2-イル]-1-ベンゾフラン-2-カルボキシラート
- ethyl 3-(2-cyano-3-hydroxybut-2-enamido)-5-[1-(diethylcarbamoyl)prop-1-en-2-yl]-1-benzofuran-2-carboxylate
- 3-[(2-Cyano-3-hydroxy-2-butenoyl)amino]-5-[1-methyl-3-oxo-3-(diethylamino)-1-propenyl]benzofuran-2-carboxylic acid ethyl ester
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