Chem
J-GLOBAL ID：201207089112809534
Nikkaji number：J3.064.276G
(E)-2-Cyano-3-[4-[5-[10-(4-tert-butylphenyl)-10H-phenothiazine-3-yl]-2-thienyl]phenyl]acrylic acid
(E)-2-シアノ-3-[4-[5-[10-(4-tert-ブチルフェニル)-10H-フェノチアジン-3-イル]-2-チエニル]フェニル]アクリル酸
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： C36H28N2O2S2
Molecular formula furigana： C36-H28-N2-O2-S2
Molecular weight： 584.750
InChI：
InChI=1S/C36H28N2O2S2/c1-36(2,3)27-13-15-28(16-14-27)38-29-6-4-5-7-33(29)42-34-21-25(12-17-30(34)38)32-19-18-31(41-32)24-10-8-23(9-11-24)20-26(22-37)35(39)40/h4-21H,1-3H3,(H,39,40)/b26-20+
InChI key：
RXIJZCFSPVSKPX-LHLOQNFPSA-N
SMILES：
CC(C)(C)c1ccc(cc1)N1c2ccccc2Sc2cc(ccc12)c1ccc(s1)c1ccc(/C=C(\C#N)/C(=O)O)cc1
Systematic name (3)：
- (E)-2-シアノ-3-[4-[5-[10-(4-tert-ブチルフェニル)-10H-フェノチアジン-3-イル]-2-チエニル]フェニル]アクリル酸
- (2E)-3-(4-{5-[10-(4-tert-ブチルフェニル)-10H-フェノチアジン-3-イル]チオフェン-2-イル}フェニル)-2-シアノプロパ-2-エン酸
- (2E)-3-(4-{5-[10-(4-tert-butylphenyl)-10H-phenothiazin-3-yl]thiophen-2-yl}phenyl)-2-cyanoprop-2-enoic acid
- (E)-2-Cyano-3-[4-[5-[10-(4-tert-butylphenyl)-10H-phenothiazine-3-yl]-2-thienyl]phenyl]acrylic acid
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