Chem
J-GLOBAL ID:200907016320297684
Nikkaji number:J2.674.983B
2-[[(2E)-4-Ethoxy-4-oxo-2-butenyl]thio]-7-methylindolizine-1,3-dicarboxylic acid diethyl ester
2-[[(2E)-4-エトキシ-4-オキソ-2-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
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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:
C21 H25 NO6 S
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/h8-11,13H,5-7,12H2,1-4H3/b9-8+
InChI key:
ZFHPPVYSNDOUJO-CMDGGOBGSA-N
SMILES:
CCOC(=O)/C=C/CSc1c(C(=O)OCC)c2cc(C)ccn2c1C(=O)OCC
Systematic name (3):
2-[[(2E)-4-エトキシ-4-オキソ-2-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-{[(2E)-4-エトキシ-4-オキソブタ-2-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-{[(2E)-4-ethoxy-4-oxobut-2-en-1-yl]sulfanyl}-7-methylindolizine-1,3-dicarboxylate
Other name (1):
2-[[(2E)-4-Ethoxy-4-oxo-2-butenyl]thio]-7-methylindolizine-1,3-dicarboxylic acid diethyl ester
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