Chem
J-GLOBAL ID：201207045474839078   Nikkaji number：J3.027.918B

2-[[[3,4-Dimethoxyphenylimino(methylthio)methyl]amino]methyl]-3-[(tert-butyloxycarbonyl)amino]propenoic acid ethyl ester

2-[[[3,4-ジメトキシフェニルイミノ(メチルチオ)メチル]アミノ]メチル]-3-[(tert-ブチルオキシカルボニル)アミノ]プロペン酸エチル
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： C21H31N3O6S
Molecular formula furigana： C21-H31-N3-O6-S
Molecular weight： 453.550
InChI： InChI=1S/C21H31N3O6S/c1-8-29-18(25)14(13-23-20(26)30-21(2,3)4)12-22-19(31-7)24-15-9-10-16(27-5)17(11-15)28-6/h9-11,13H,8,12H2,1-7H3,(H,22,24)(H,23,26)
InChI key： KJYJICDBDDQSAW-UHFFFAOYSA-N
SMILES： CCOC(=O)C(=CNC(=O)OC(C)(C)C)CNC(=Nc1ccc(OC)c(OC)c1)SC
Systematic name  (3)：
  • 2-[[[3,4-ジメトキシフェニルイミノ(メチルチオ)メチル]アミノ]メチル]-3-[(tert-ブチルオキシカルボニル)アミノ]プロペン酸エチル
  • エチル 3-{[(tert-ブトキシ)カルボニル]アミノ}-2-[({[(3,4-ジメトキシフェニル)イミノ](メチルスルファニル)メチル}アミノ)メチル]プロパ-2-エノアート
  • ethyl 3-{[(tert-butoxy)carbonyl]amino}-2-[({[(3,4-dimethoxyphenyl)imino](methylsulfanyl)methyl}amino)methyl]prop-2-enoate
Other name (1)：
  • 2-[[[3,4-Dimethoxyphenylimino(methylthio)methyl]amino]methyl]-3-[(tert-butyloxycarbonyl)amino]propenoic acid ethyl ester
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