Chem
J-GLOBAL ID：200907090908914570   Nikkaji number：J2.674.990E

2-[[(1Z)-4-Ethoxy-4-oxo-1-butenyl]thio]-7-methylindolizine-1,3-dicarboxylic acid diethyl ester

2-[[(1Z)-4-エトキシ-4-オキソ-1-ブテニル]チオ]-7-メチルインドリジン-1,3-ジカルボン酸ジエチル
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： C21H25NO6S
Molecular formula furigana： C21-H25-N-O6-S
Molecular weight： 419.490
InChI： InChI=1S/C21H25NO6S/c1-5-26-16(23)9-8-12-29-19-17(20(24)27-6-2)15-13-14(4)10-11-22(15)18(19)21(25)28-7-3/h8,10-13H,5-7,9H2,1-4H3/b12-8-
InChI key： XXPLMQJUDCINRQ-WQLSENKSSA-N
SMILES： CCOC(=O)C/C=C\Sc1c(C(=O)OCC)c2cc(C)ccn2c1C(=O)OCC
Systematic name  (3)：
  • 2-[[(1Z)-4-エトキシ-4-オキソ-1-ブテニル]チオ]-7-メチルインドリジン-1,3-ジカルボン酸ジエチル
  • 1,3-ジエチル 2-{[(1Z)-4-エトキシ-4-オキソブタ-1-エン-1-イル]スルファニル}-7-メチルインドリジン-1,3-ジカルボキシラート
  • 1,3-diethyl 2-{[(1Z)-4-ethoxy-4-oxobut-1-en-1-yl]sulfanyl}-7-methylindolizine-1,3-dicarboxylate
Other name (1)：
  • 2-[[(1Z)-4-Ethoxy-4-oxo-1-butenyl]thio]-7-methylindolizine-1,3-dicarboxylic acid diethyl ester
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