Chem
J-GLOBAL ID：200907014777509587   Nikkaji number：J1.141.361G

2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-5-[(6,7-dimethoxy-3,4-dihydroisoquinoline)-2(1H)-yl]pentanoic acid methyl ester

2-(3,4-ジメトキシフェニル)-2-(p-トリルチオ)-5-[(6,7-ジメトキシ-3,4-ジヒドロイソキノリン)-2(1H)-イル]ペンタン酸メチル
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： C32H39NO6S
Molecular formula furigana： C32-H39-N-O6-S
Molecular weight： 565.730
InChI： InChI=1S/C32H39NO6S/c1-22-8-11-26(12-9-22)40-32(31(34)39-6,25-10-13-27(35-2)30(20-25)38-5)15-7-16-33-17-14-23-18-28(36-3)29(37-4)19-24(23)21-33/h8-13,18-20H,7,14-17,21H2,1-6H3
InChI key： LEPRSEYFDFHJBY-UHFFFAOYSA-N
SMILES： COC(=O)C(CCCN1CCc2cc(OC)c(OC)cc2C1)(Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1
Systematic name  (3)：
  • 2-(3,4-ジメトキシフェニル)-2-(p-トリルチオ)-5-[(6,7-ジメトキシ-3,4-ジヒドロイソキノリン)-2(1H)-イル]ペンタン酸メチル
  • メチル 5-(6,7-ジメトキシ-1,2,3,4-テトラヒドロイソキノリン-2-イル)-2-(3,4-ジメトキシフェニル)-2-[(4-メチルフェニル)スルファニル]ペンタノアート
  • methyl 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfanyl]pentanoate
Other name (1)：
  • 2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-5-[(6,7-dimethoxy-3,4-dihydroisoquinoline)-2(1H)-yl]pentanoic acid methyl ester
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