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Thiophene-2-carboxylic acid, [4-(5,6,7,8-tetrahydro-2-amino-3-cyano-5-oxo-4H-chromen-4-yl)-2-methoxyphenyl] ester
SpectraBase Compound ID 2XlY6RudGNi
InChI InChI=1S/C22H18N2O5S/c1-27-17-10-12(7-8-15(17)29-22(26)18-6-3-9-30-18)19-13(11-23)21(24)28-16-5-2-4-14(25)20(16)19/h3,6-10,19H,2,4-5,24H2,1H3
InChIKey XNWDEGIRZKNSCU-UHFFFAOYSA-N
Mol Weight 422.46 g/mol
Molecular Formula C22H18N2O5S
Exact Mass 422.093643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7Gg3Xu4oeU
Name Thiophene-2-carboxylic acid, [4-(5,6,7,8-tetrahydro-2-amino-3-cyano-5-oxo-4H-chromen-4-yl)-2-methoxyphenyl] ester
Alternate Name(s) 4-(2-Amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenyl 2-thiophenecarboxylate 2-Thiophenecarboxylic acid [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl)-2-methoxyphenyl] ester [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)-2-methoxyphenyl] thiophene-2-carboxylate [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)-2-methoxy-phenyl] thiophene-2-carboxylate [4-(2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl)-2-methoxy-phenyl] thiophene-2-carboxylate
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Formula C22H18N2O5S
InChI InChI=1S/C22H18N2O5S/c1-27-17-10-12(7-8-15(17)29-22(26)18-6-3-9-30-18)19-13(11-23)21(24)28-16-5-2-4-14(25)20(16)19/h3,6-10,19H,2,4-5,24H2,1H3
InChIKey XNWDEGIRZKNSCU-UHFFFAOYSA-N
Molecular Weight 422.455 g/mol
SMILES NC1=C(C(C=2C(=O)CCCC2O1)c1cc(OC)c(OC(c2sccc2)=O)cc1)C#N
SPLASH splash10-03di-2920000000-5b7dfcbf48db2475e6e1
Source of Spectrum AD-0-2532-0
Wiley ID 1419671