Ethyl 2-(acetylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

HCID 2830693

基本情報

標準SMILES: CCOC(=O)c1c(NC(C)=O)sc2c1CCCC2=O
InChIKey: JPJXZTHTKNOGNH-UHFFFAOYSA-N
分子式: C13H15NO4S
平均分子量: 281.33 g/mol

名称と識別子

優先名称: Ethyl 2-(acetylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
IUPAC: ethyl 2-acetamido-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate

名称と別名

91421-24-8ethyl 2-(acetylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateEthyl 2-acetamido-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateMFCD00437065ethyl 2-acetamido-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-acetamido-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylatebenzo[b]thiophene-3-carboxylic acid, 2-(acetylamino)-4,5,6,7-tetrahydro-7-oxo-, ethyl esterOprea1_771175Oprea1_870074CBDivE_012034SCHEMBL2927596JPJXZTHTKNOGNH-UHFFFAOYSA-N

名称をさらに表示

ALBB-023127BBL007805STK279814AKOS000514256ethyl 2-acetylamino-4,5,6,7-tetrahydro-7-oxobenzo[b]thiophene-3-carboxylateCCG-125026SS-4796ST095498

データベース識別子

PubChem CID: 2830693

物性

構造計算による物性

XLogP: 2.3
極性表面積: 101 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 19
形式電荷: 0
複雑度: 398