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4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-6-phenyl-1-cyclohex-3-enecarboxylic acid methyl ester
SpectraBase Compound ID 4yeiqGDuReb
InChI InChI=1S/C23H22N2O3S/c1-28-23(27)21-17(14-7-3-2-4-8-14)11-15(12-19(21)26)25-22-18(13-24)16-9-5-6-10-20(16)29-22/h2-4,7-8,12,17,21,25H,5-6,9-11H2,1H3
InChIKey GIAFOBGYEXCECD-UHFFFAOYSA-N
Mol Weight 406.5 g/mol
Molecular Formula C23H22N2O3S
Exact Mass 406.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jgc46Pm0Fmf
Name 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-6-phenyl-1-cyclohex-3-enecarboxylic acid methyl ester
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Formula C23H22N2O3S
InChI InChI=1S/C23H22N2O3S/c1-28-23(27)21-17(14-7-3-2-4-8-14)11-15(12-19(21)26)25-22-18(13-24)16-9-5-6-10-20(16)29-22/h2-4,7-8,12,17,21,25H,5-6,9-11H2,1H3
InChIKey GIAFOBGYEXCECD-UHFFFAOYSA-N
Molecular Weight 406.500 g/mol
SMILES N(C=1CC(C(C(=O)OC)C(C1)=O)c1ccccc1)c1sc2c(c1C#N)CCCC2
SPLASH splash10-00or-9800000000-563feaa14c732598f8e0
Synonyms 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-6-phenyl-cyclohex-3-ene-1-carboxylic acid methyl ester Methyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-6-phenyl-cyclohex-3-ene-1-carboxylate Methyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate Methyl 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-6-phenyl-cyclohex-3-ene-1-carboxylate
Wiley ID 1445343