Chem
J-GLOBAL ID:200907037609909847   Nikkaji number:J2.587.176F

3,3′-[(Cyclopentene-1,2-diyl)bis[(5-methylthiophene-4,2-diyl)carbonyl(piperazine-1,4-diyl)carbonylmethylene]]bis(7-methoxy-2H-1-benzopyran-2-one)

3,3′-[(シクロペンテン-1,2-ジイル)ビス[(5-メチルチオフェン-4,2-ジイル)カルボニル(ピペラジン-1,4-ジイル)カルボニルメチレン]]ビス(7-メトキシ-2H-1-ベンゾピラン-2-オン)
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: C49H48N4O10S2
Molecular formula furigana: C49-H48-N4-O10-S2
Molecular weight: 917.060
InChI: InChI=1S/C49H48N4O10S2/c1-28-38(26-42(64-28)46(56)52-16-12-50(13-17-52)44(54)22-32-20-30-8-10-34(60-3)24-40(30)62-48(32)58)36-6-5-7-37(36)39-27-43(65-29(39)2)47(57)53-18-14-51(15-19-53)45(55)23-33-21-31-9-11-35(61-4)25-41(31)63-49(33)59/h8-11,20-21,24-27H,5-7,12-19,22-23H2,1-4H3
InChI key: FMLWFHJVXROAAB-UHFFFAOYSA-N
SMILES: COc1ccc2cc(CC(=O)N3CCN(CC3)C(=O)c3cc(C4=C(CCC4)c4cc(sc4C)C(=O)N4CCN(CC4)C(=O)Cc4cc5ccc(OC)cc5oc4=O)c(C)s3)c(=O)oc2c1
Systematic name  (3):
  • 3,3′-[(シクロペンテン-1,2-ジイル)ビス[(5-メチルチオフェン-4,2-ジイル)カルボニル(ピペラジン-1,4-ジイル)カルボニルメチレン]]ビス(7-メトキシ-2H-1-ベンゾピラン-2-オン)
  • 7-メトキシ-3-[2-(4-{4-[2-(5-{4-[2-(7-メトキシ-2-オキソ-2H-クロメン-3-イル)アセチル]ピペラジン-1-カルボニル}-2-メチルチオフェン-3-イル)シクロペンタ-1-エン-1-イル]-5-メチルチオフェン-2-カルボニル}ピペラジン-1-イル)-2-オキソエチル]-2H-クロメン-2-オン
  • 7-methoxy-3-[2-(4-{4-[2-(5-{4-[2-(7-methoxy-2-oxo-2H-chromen-3-yl)acetyl]piperazine-1-carbonyl}-2-methylthiophen-3-yl)cyclopent-1-en-1-yl]-5-methylthiophene-2-carbonyl}piperazin-1-yl)-2-oxoethyl]-2H-chromen-2-one
Other name (1):
  • 3,3′-[(Cyclopentene-1,2-diyl)bis[(5-methylthiophene-4,2-diyl)carbonyl(piperazine-1,4-diyl)carbonylmethylene]]bis(7-methoxy-2H-1-benzopyran-2-one)
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