Chem
J-GLOBAL ID：200907026600393463
Nikkaji number：J1.304.338H
2-(2,2,2-Trichloroethoxycarbonyl)-4-(2-oxo-2-methoxyethyl)-5-(benzothiazole-2-ylthiomethyl)-1H-pyrrole-3-propionic acid methyl ester
2-(2,2,2-トリクロロエトキシカルボニル)-4-(2-オキソ-2-メトキシエチル)-5-(ベンゾチアゾール-2-イルチオメチル)-1H-ピロール-3-プロピオン酸メチル
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
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
Molecular formula： C22H21Cl3N2O6S2
Molecular formula furigana： C22-H21-CL3-N2-O6-S2
Molecular weight： 579.890
InChI：
InChI=1S/C22H21Cl3N2O6S2/c1-31-17(28)8-7-12-13(9-18(29)32-2)15(26-19(12)20(30)33-11-22(23,24)25)10-34-21-27-14-5-3-4-6-16(14)35-21/h3-6,26H,7-11H2,1-2H3
InChI key：
KJSLNLPFULMVHE-UHFFFAOYSA-N
SMILES：
COC(=O)CCc1c(CC(=O)OC)c(CSc2nc3ccccc3s2)[nH]c1C(=O)OCC(Cl)(Cl)Cl
Systematic name (3)：
- 2-(2,2,2-トリクロロエトキシカルボニル)-4-(2-オキソ-2-メトキシエチル)-5-(ベンゾチアゾール-2-イルチオメチル)-1H-ピロール-3-プロピオン酸メチル
- 2,2,2-トリクロロエチル 5-[(1,3-ベンゾチアゾール-2-イルスルファニル)メチル]-4-(2-メトキシ-2-オキソエチル)-3-(3-メトキシ-3-オキソプロピル)-1H-ピロール-2-カルボキシラート
- 2,2,2-trichloroethyl 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
- 2-(2,2,2-Trichloroethoxycarbonyl)-4-(2-oxo-2-methoxyethyl)-5-(benzothiazole-2-ylthiomethyl)-1H-pyrrole-3-propionic acid methyl ester
Return to Previous Page
