Chem
J-GLOBAL ID:201207025970658473   Nikkaji number:J3.027.913A

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

2-[[[4-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: C20H29N3O5S
Molecular formula furigana: C20-H29-N3-O5-S
Molecular weight: 423.530
InChI: InChI=1S/C20H29N3O5S/c1-7-27-17(24)14(13-22-19(25)28-20(2,3)4)12-21-18(29-6)23-15-8-10-16(26-5)11-9-15/h8-11,13H,7,12H2,1-6H3,(H,21,23)(H,22,25)
InChI key: ZUJRFPGWHWIUMG-UHFFFAOYSA-N
SMILES: CCOC(=O)C(=CNC(=O)OC(C)(C)C)CNC(=Nc1ccc(OC)cc1)SC
Systematic name  (3):
  • 2-[[[4-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-[({[(4-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-[({[(4-methoxyphenyl)imino](methylsulfanyl)methyl}amino)methyl]prop-2-enoate
Other name (1):
  • 2-[[[4-Methoxyphenylimino(methylthio)methyl]amino]methyl]-3-[(tert-butyloxycarbonyl)amino]propenoic acid ethyl ester
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