Chem
J-GLOBAL ID：201507008128217940
Nikkaji number：J3.445.568F
4-(4-Methylphenyl)-5-[2-[(2-oxo-2H-1-benzopyran-3-yl)carbonyl]hydrazono]-4,5-dihydro-1,3,4-thiadiazole-2-carboxylic acid ethyl ester
エチル 4-(4-メチルフェニル)-5-{[(2-オキソ-2H-クロメン-3-イル)ホルムアミド]イミノ}-4,5-ジヒドロ-1,3,4-チアジアゾール-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： C22H18N4O5S
Molecular formula furigana： C22-H18-N4-O5-S
Molecular weight： 450.470
InChI：
InChI=1S/C22H18N4O5S/c1-3-30-21(29)19-25-26(15-10-8-13(2)9-11-15)22(32-19)24-23-18(27)16-12-14-6-4-5-7-17(14)31-20(16)28/h4-12H,3H2,1-2H3,(H,23,27)
InChI key：
DXLORXUYMXKZKD-UHFFFAOYSA-N
SMILES：
CCOC(=O)c1nn(c2ccc(C)cc2)c(=NNC(=O)c2cc3ccccc3oc2=O)s1
Systematic name (3)：
- 4-(4-メチルフェニル)-5-[2-[(2-オキソ-2H-1-ベンゾピラン-3-イル)カルボニル]ヒドラゾノ]-4,5-ジヒドロ-1,3,4-チアジアゾール-2-カルボン酸エチル
- エチル 4-(4-メチルフェニル)-5-{[(2-オキソ-2H-クロメン-3-イル)ホルムアミド]イミノ}-4,5-ジヒドロ-1,3,4-チアジアゾール-2-カルボキシラート
- ethyl 4-(4-methylphenyl)-5-{[(2-oxo-2H-chromen-3-yl)formamido]imino}-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
- 4-(4-Methylphenyl)-5-[2-[(2-oxo-2H-1-benzopyran-3-yl)carbonyl]hydrazono]-4,5-dihydro-1,3,4-thiadiazole-2-carboxylic acid ethyl ester
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