Chem
J-GLOBAL ID：200907060846737777   Nikkaji number：J679.007K

2-[[[1,3,4,5,6,7-Hexahydro-1-[1-[[(methoxycarbonyl)methyl]thio]butyl]-3-oxoisobenzofuran]-4-yl]thio]acetic acid methyl ester

2-[[[1,3,4,5,6,7-ヘキサヒドロ-1-[1-[[(メトキシカルボニル)メチル]チオ]ブチル]-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： C18H26O6S2
Molecular formula furigana： C18-H26-O6-S2
Molecular weight： 402.520
InChI： InChI=1S/C18H26O6S2/c1-4-6-13(26-10-15(20)23-3)17-11-7-5-8-12(16(11)18(21)24-17)25-9-14(19)22-2/h12-13,17H,4-10H2,1-3H3
InChI key： FRLQSIHVKMQJFG-UHFFFAOYSA-N
SMILES： CCCC(SCC(=O)OC)C1OC(=O)C2=C1CCCC2SCC(=O)OC
Systematic name  (3)：
  • 2-[[[1,3,4,5,6,7-ヘキサヒドロ-1-[1-[[(メトキシカルボニル)メチル]チオ]ブチル]-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-[(1-{4-[(2-メトキシ-2-オキソエチル)スルファニル]-3-オキソ-1,3,4,5,6,7-ヘキサヒドロ-2-ベンゾフラン-1-イル}ブチル)スルファニル]アセタート
  • methyl 2-[(1-{4-[(2-methoxy-2-oxoethyl)sulfanyl]-3-oxo-1,3,4,5,6,7-hexahydro-2-benzofuran-1-yl}butyl)sulfanyl]acetate
Other name (1)：
  • 2-[[[1,3,4,5,6,7-Hexahydro-1-[1-[[(methoxycarbonyl)methyl]thio]butyl]-3-oxoisobenzofuran]-4-yl]thio]acetic acid methyl ester
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