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1H-Isochromene-3-carboxylic acid, 1-oxo-, (3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amide
SpectraBase Compound ID DtbrrmQ17hE
InChI InChI=1S/C20H16N2O3S/c1-11-6-7-14-15(10-21)19(26-17(14)8-11)22-18(23)16-9-12-4-2-3-5-13(12)20(24)25-16/h2-5,9,11H,6-8H2,1H3,(H,22,23)
InChIKey LUQXQUMFLPORGD-UHFFFAOYSA-N
Mol Weight 364.42 g/mol
Molecular Formula C20H16N2O3S
Exact Mass 364.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CuC8RD6Ql2L
Name 1H-Isochromene-3-carboxylic acid, 1-oxo-, (3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amide
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Formula C20H16N2O3S
InChI InChI=1S/C20H16N2O3S/c1-11-6-7-14-15(10-21)19(26-17(14)8-11)22-18(23)16-9-12-4-2-3-5-13(12)20(24)25-16/h2-5,9,11H,6-8H2,1H3,(H,22,23)
InChIKey LUQXQUMFLPORGD-UHFFFAOYSA-N
Molecular Weight 364.419 g/mol
SMILES N(c1c(c2CCC(Cc2s1)C)C#N)C(C=1OC(=O)c2c(C1)cccc2)=O
SPLASH splash10-00di-4901000000-23b95c7ae127c2fa793b
Synonyms N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxidanylidene-isochromene-3-carboxamide N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-2-benzopyran-3-carboxamide N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxoisochromene-3-carboxamide N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-keto-isochromene-3-carboxamide N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-oxo-isochromene-3-carboxamide
Wiley ID 1437963