Chem
J-GLOBAL ID:200907049435594815   Nikkaji number:J771.982E

(E)-3-[4-(4-Methoxyphenyl)butoxy]-6-[[(2,6-dichlorophenyl)thio]methyl]pyridine-2-propenoic acid

(E)-3-[4-(4-メトキシフェニル)ブトキシ]-6-[[(2,6-ジクロロフェニル)チオ]メチル]ピリジン-2-プロペン酸
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: C26H25Cl2NO4S
Molecular formula furigana: C26-H25-CL2-N-O4-S
Molecular weight: 518.450
InChI: InChI=1S/C26H25Cl2NO4S/c1-32-20-11-8-18(9-12-20)5-2-3-16-33-24-14-10-19(29-23(24)13-15-25(30)31)17-34-26-21(27)6-4-7-22(26)28/h4,6-15H,2-3,5,16-17H2,1H3,(H,30,31)/b15-13+
InChI key: CNCBHMFRNJAUKC-FYWRMAATSA-N
SMILES: COc1ccc(CCCCOc2ccc(CSc3c(Cl)cccc3Cl)nc2/C=C/C(=O)O)cc1
Systematic name  (3):
  • (E)-3-[4-(4-メトキシフェニル)ブトキシ]-6-[[(2,6-ジクロロフェニル)チオ]メチル]ピリジン-2-プロペン酸
  • (2E)-3-(6-{[(2,6-ジクロロフェニル)スルファニル]メチル}-3-[4-(4-メトキシフェニル)ブトキシ]ピリジン-2-イル)プロパ-2-エン酸
  • (2E)-3-(6-{[(2,6-dichlorophenyl)sulfanyl]methyl}-3-[4-(4-methoxyphenyl)butoxy]pyridin-2-yl)prop-2-enoic acid
Other name (1):
  • (E)-3-[4-(4-Methoxyphenyl)butoxy]-6-[[(2,6-dichlorophenyl)thio]methyl]pyridine-2-propenoic acid
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