Chem
J-GLOBAL ID:200907001670098440
Nikkaji number:J1.874.974B
[[2-(Phenylthio)-1H-indole-3-yl]methyl]malonic acid dimethyl ester
[[2-(フェニルチオ)-1H-インドール-3-イル]メチル]マロン酸ジメチル
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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:
C20 H19 NO4 S
Molecular formula furigana:
C20-H19-N-O4-S
Molecular weight:
369.440
InChI:
InChI=1S/C20H19NO4S/c1-24-19(22)16(20(23)25-2)12-15-14-10-6-7-11-17(14)21-18(15)26-13-8-4-3-5-9-13/h3-11,16,21H,12H2,1-2H3
InChI key:
CEVXTYILMRBPRQ-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cc1c(Sc2ccccc2)[nH]c2ccccc12)C(=O)OC
Systematic name (3):
[[2-(フェニルチオ)-1H-インドール-3-イル]メチル]マロン酸ジメチル
1,3-ジメチル 2-{[2-(フェニルスルファニル)-1H-インドール-3-イル]メチル}プロパンジオアート
1,3-dimethyl 2-{[2-(phenylsulfanyl)-1H-indol-3-yl]methyl}propanedioate
Other name (1):
[[2-(Phenylthio)-1H-indole-3-yl]methyl]malonic acid dimethyl ester
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