Chem
J-GLOBAL ID：201007099479893451
Nikkaji number：J2.787.301D
(3E)-2-[(2E)-1,2-Dihydropyridine-2-ylidene]-3-(methylthio)-4-cyano-4-tosyl-3-butenoic acid methyl 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-ブテン酸メチル
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： C19H18N2O4S2
Molecular formula furigana： C19-H18-N2-O4-S2
Molecular weight： 402.480
InChI：
InChI=1S/C19H18N2O4S2/c1-13-7-9-14(10-8-13)27(23,24)16(12-20)18(26-3)17(19(22)25-2)15-6-4-5-11-21-15/h4-11,21H,1-3H3/b17-15-,18-16+
InChI key：
ZZGFATXQUPVBDR-JRDMOELTSA-N
SMILES：
COC(=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-ブテン酸メチル
- メチル (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
- methyl (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 methyl ester
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