Chem
J-GLOBAL ID：201507031734265438   Nikkaji number：J3.332.625D

2-Methyl-2-(p-methoxyphenylthiocarbonyl)-3-(2,4-dichlorophenyl)-4-nitrobutyric acid p-methoxybenzyl ester

2-メチル-2-(p-メトキシフェニルチオカルボニル)-3-(2,4-ジクロロフェニル)-4-ニトロ酪酸p-メトキシベンジル
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： C27H25Cl2[N+]O6[O-]S
Molecular formula furigana： C27-H25-CL2-N-O7-S
Molecular weight： 578.460
InChI： InChI=1S/C27H25Cl2NO7S/c1-27(26(32)38-21-11-9-20(36-3)10-12-21,25(31)37-16-17-4-7-19(35-2)8-5-17)23(15-30(33)34)22-13-6-18(28)14-24(22)29/h4-14,23H,15-16H2,1-3H3
InChI key： JTNIEJHHDJACCT-UHFFFAOYSA-N
SMILES： COc1ccc(COC(=O)C(C)(C(C[N+](=O)[O-])c2ccc(Cl)cc2Cl)C(=O)Sc2ccc(OC)cc2)cc1
Systematic name  (3)：
  • 2-メチル-2-(p-メトキシフェニルチオカルボニル)-3-(2,4-ジクロロフェニル)-4-ニトロ酪酸p-メトキシベンジル
  • (4-メトキシフェニル)メチル 3-(2,4-ジクロロフェニル)-2-{[(4-メトキシフェニル)スルファニル]カルボニル}-2-メチル-4-ニトロブタノアート
  • (4-methoxyphenyl)methyl 3-(2,4-dichlorophenyl)-2-{[(4-methoxyphenyl)sulfanyl]carbonyl}-2-methyl-4-nitrobutanoate
Other name (1)：
  • 2-Methyl-2-(p-methoxyphenylthiocarbonyl)-3-(2,4-dichlorophenyl)-4-nitrobutyric acid p-methoxybenzyl ester
Thsaurus map：
Thesaurus Map

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