Chem
J-GLOBAL ID：200907005200967790   Nikkaji number：J1.433.703B

3-[3-Chloro-4-[4-[[methyl(ethoxycarbonylmethyl)amino]methyl]phenylthio]phenyl]-1-morpholino-2-propene-1-one

3-[3-クロロ-4-[4-[[メチル(エトキシカルボニルメチル)アミノ]メチル]フェニルチオ]フェニル]-1-モルホリノ-2-プロペン-1-オン
Substance type：
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
Molecular formula： C25H29ClN2O4S
Molecular formula furigana： C25-H29-CL-N2-O4-S
Molecular weight： 489.030
InChI： InChI=1S/C25H29ClN2O4S/c1-3-32-25(30)18-27(2)17-20-4-8-21(9-5-20)33-23-10-6-19(16-22(23)26)7-11-24(29)28-12-14-31-15-13-28/h4-11,16H,3,12-15,17-18H2,1-2H3
InChI key： BJIMGBAPXCSYFU-UHFFFAOYSA-N
SMILES： CCOC(=O)CN(C)Cc1ccc(Sc2ccc(C=CC(=O)N3CCOCC3)cc2Cl)cc1
Systematic name  (3)：
  • 3-[3-クロロ-4-[4-[[メチル(エトキシカルボニルメチル)アミノ]メチル]フェニルチオ]フェニル]-1-モルホリノ-2-プロペン-1-オン
  • エチル 2-({[4-({2-クロロ-4-[3-(モルホリン-4-イル)-3-オキソプロパ-1-エン-1-イル]フェニル}スルファニル)フェニル]メチル}(メチル)アミノ)アセタート
  • ethyl 2-({[4-({2-chloro-4-[3-(morpholin-4-yl)-3-oxoprop-1-en-1-yl]phenyl}sulfanyl)phenyl]methyl}(methyl)amino)acetate
Other name (1)：
  • 3-[3-Chloro-4-[4-[[methyl(ethoxycarbonylmethyl)amino]methyl]phenylthio]phenyl]-1-morpholino-2-propene-1-one
Thsaurus map：
Thesaurus Map

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