Chem
J-GLOBAL ID：200907034437888533
Nikkaji number：J2.157.126A
2-Cyano-2-tosyl-3-(4-methoxyphenyl)propionic acid ethyl ester
2-シアノ-2-トシル-3-(4-メトキシフェニル)プロピオン酸エチル
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： C20H21NO5S
Molecular formula furigana： C20-H21-N-O5-S
Molecular weight： 387.450
InChI：
InChI=1S/C20H21NO5S/c1-4-26-19(22)20(14-21,13-16-7-9-17(25-3)10-8-16)27(23,24)18-11-5-15(2)6-12-18/h5-12H,4,13H2,1-3H3
InChI key：
FXLIDVIHFPMQCK-UHFFFAOYSA-N
SMILES：
CCOC(=O)C(Cc1ccc(OC)cc1)(C#N)S(=O)(=O)c1ccc(C)cc1
Systematic name (3)：
- 2-シアノ-2-トシル-3-(4-メトキシフェニル)プロピオン酸エチル
- エチル 2-シアノ-2-[(4-メトキシフェニル)メチル]-2-(4-メチルベンゼンスルホニル)アセタート
- ethyl 2-cyano-2-[(4-methoxyphenyl)methyl]-2-(4-methylbenzenesulfonyl)acetate
- 2-Cyano-2-tosyl-3-(4-methoxyphenyl)propionic acid ethyl ester
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