Chem
J-GLOBAL ID：201007071334626330
Nikkaji number：J2.787.302B
(3E)-2-[(2E)-1,2-Dihydropyridine-2-ylidene]-3-(methylthio)-4-cyano-4-tosyl-3-butenoic acid ethyl ester
(3E)-2-[(2E)-1,2-ジヒドロピリジン-2-イリデン]-3-(メチルチオ)-4-シアノ-4-トシル-3-ブテン酸エチル
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： C20H20N2O4S2
Molecular formula furigana： C20-H20-N2-O4-S2
Molecular weight： 416.510
InChI：
InChI=1S/C20H20N2O4S2/c1-4-26-20(23)18(16-7-5-6-12-22-16)19(27-3)17(13-21)28(24,25)15-10-8-14(2)9-11-15/h5-12,22H,4H2,1-3H3/b18-16-,19-17+
InChI key：
MNUHTOQLLBMTDP-JQNBNMKOSA-N
SMILES：
CCOC(=O)/C(=c/1\[nH]cccc1)/C(=C(/C#N)\S(=O)(=O)c1ccc(C)cc1)/SC
Systematic name (3)：
- (3E)-2-[(2E)-1,2-ジヒドロピリジン-2-イリデン]-3-(メチルチオ)-4-シアノ-4-トシル-3-ブテン酸エチル
- エチル (3E)-4-シアノ-2-[(2E)-1,2-ジヒドロピリジン-2-イリデン]-4-(4-メチルベンゼンスルホニル)-3-(メチルスルファニル)ブタ-3-エノアート
- ethyl (3E)-4-cyano-2-[(2E)-1,2-dihydropyridin-2-ylidene]-4-(4-methylbenzenesulfonyl)-3-(methylsulfanyl)but-3-enoate
- (3E)-2-[(2E)-1,2-Dihydropyridine-2-ylidene]-3-(methylthio)-4-cyano-4-tosyl-3-butenoic acid ethyl ester
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