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4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-6-(3-methoxyphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-6-(3-methoxyphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester
SpectraBase Compound ID 4UyyjWZL97K
InChI InChI=1S/C25H26N2O4S/c1-3-31-25(29)23-19(15-7-6-8-17(11-15)30-2)12-16(13-21(23)28)27-24-20(14-26)18-9-4-5-10-22(18)32-24/h6-8,11,13,19,23,27H,3-5,9-10,12H2,1-2H3
InChIKey IYXTTZOYQDXORX-UHFFFAOYSA-N
Mol Weight 450.55 g/mol
Molecular Formula C25H26N2O4S
Exact Mass 450.161328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Y3jNCRm6EE
Name 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-6-(3-methoxyphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26N2O4S
InChI InChI=1S/C25H26N2O4S/c1-3-31-25(29)23-19(15-7-6-8-17(11-15)30-2)12-16(13-21(23)28)27-24-20(14-26)18-9-4-5-10-22(18)32-24/h6-8,11,13,19,23,27H,3-5,9-10,12H2,1-2H3
InChIKey IYXTTZOYQDXORX-UHFFFAOYSA-N
Molecular Weight 450.553 g/mol
SMILES N(c1sc2c(c1C#N)CCCC2)C=1CC(c2cccc(c2)OC)C(C(C1)=O)C(=O)OCC
SPLASH splash10-004i-3921000000-f85ce788aa05b3a5a916
Synonyms 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-6-(3-methoxyphenyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-6-(3-methoxyphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate Ethyl 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-6-(3-methoxyphenyl)-2-oxo-cyclohex-3-ene-1-carboxylate
Wiley ID 1445407