Chem
J-GLOBAL ID：200907002736325562   Nikkaji number：J2.601.357G

3-[4-(3-Oxo-6-hydroxy-3H-xanthene-9-yl)-3-carboxyphenyl]-1-methacryloylthiourea

3-[4-(3-オキソ-6-ヒドロキシ-3H-キサンテン-9-イル)-3-カルボキシフェニル]-1-メタクリロイルチオ尿素
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： C25H18N2O6S
Molecular formula furigana： C25-H18-N2-O6-S
Molecular weight： 474.490
InChI： InChI=1S/C25H18N2O6S/c1-12(2)23(30)27-25(34)26-13-3-6-16(19(9-13)24(31)32)22-17-7-4-14(28)10-20(17)33-21-11-15(29)5-8-18(21)22/h3-11,28H,1H2,2H3,(H,31,32)(H2,26,27,30,34)
InChI key： BFRSVZOGZHYRLS-UHFFFAOYSA-N
SMILES： CC(=C)C(=O)NC(=S)Nc1ccc(c(c1)C(=O)O)c1c2ccc(O)cc2oc2cc(=O)ccc12
Systematic name  (3)：
  • 3-[4-(3-オキソ-6-ヒドロキシ-3H-キサンテン-9-イル)-3-カルボキシフェニル]-1-メタクリロイルチオ尿素
  • 2-(6-ヒドロキシ-3-オキソ-3H-キサンテン-9-イル)-5-{[(2-メチルプロパ-2-エンアミド)メタンチオイル]アミノ}安息香酸
  • 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-{[(2-methylprop-2-enamido)methanethioyl]amino}benzoic acid
Other name (1)：
  • 3-[4-(3-Oxo-6-hydroxy-3H-xanthene-9-yl)-3-carboxyphenyl]-1-methacryloylthiourea
Thsaurus map：
Thesaurus Map

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