Chem
J-GLOBAL ID:200907088775509265   Nikkaji number:J679.006B

2-[[[1-[(Z)-Butylidene]-1,3,4,5,6,7-hexahydro-3-oxoisobenzofuran]-4-yl]thio]acetic acid methyl ester

2-[[[1-[(Z)-ブチリデン]-1,3,4,5,6,7-ヘキサヒドロ-3-オキソイソベンゾフラン]-4-イル]チオ]酢酸メチル
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: C15H20O4S
Molecular formula furigana: C15-H20-O4-S
Molecular weight: 296.380
InChI: InChI=1S/C15H20O4S/c1-3-4-7-11-10-6-5-8-12(14(10)15(17)19-11)20-9-13(16)18-2/h7,12H,3-6,8-9H2,1-2H3/b11-7-
InChI key: LOSZHDVALZIRJG-XFFZJAGNSA-N
SMILES: CCC/C=C/1\OC(=O)C2=C1CCCC2SCC(=O)OC
Systematic name  (3):
  • 2-[[[1-[(Z)-ブチリデン]-1,3,4,5,6,7-ヘキサヒドロ-3-オキソイソベンゾフラン]-4-イル]チオ]酢酸メチル
  • メチル 2-{[(1Z)-1-ブチリデン-3-オキソ-1,3,4,5,6,7-ヘキサヒドロ-2-ベンゾフラン-4-イル]スルファニル}アセタート
  • methyl 2-{[(1Z)-1-butylidene-3-oxo-1,3,4,5,6,7-hexahydro-2-benzofuran-4-yl]sulfanyl}acetate
Other name (1):
  • 2-[[[1-[(Z)-Butylidene]-1,3,4,5,6,7-hexahydro-3-oxoisobenzofuran]-4-yl]thio]acetic acid methyl ester
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