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Thiophene-2-carboxylic acid, 4-(5,6,7,8-tetrahydro-2-amino-3-cyano-5-oxo-4H-chromen-4-yl)phenyl ester
SpectraBase Compound ID 9Ly8HHewylj
InChI InChI=1S/C21H16N2O4S/c22-11-14-18(19-15(24)3-1-4-16(19)27-20(14)23)12-6-8-13(9-7-12)26-21(25)17-5-2-10-28-17/h2,5-10,18H,1,3-4,23H2
InChIKey OLHORZVZNPZQGU-UHFFFAOYSA-N
Mol Weight 392.43 g/mol
Molecular Formula C21H16N2O4S
Exact Mass 392.083078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hde6TKrcjo1
Name Thiophene-2-carboxylic acid, 4-(5,6,7,8-tetrahydro-2-amino-3-cyano-5-oxo-4H-chromen-4-yl)phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N2O4S
InChI InChI=1S/C21H16N2O4S/c22-11-14-18(19-15(24)3-1-4-16(19)27-20(14)23)12-6-8-13(9-7-12)26-21(25)17-5-2-10-28-17/h2,5-10,18H,1,3-4,23H2
InChIKey OLHORZVZNPZQGU-UHFFFAOYSA-N
Molecular Weight 392.429 g/mol
SMILES NC1=C(C(C2=C(CCCC2=O)O1)c1ccc(OC(c2sccc2)=O)cc1)C#N
SPLASH splash10-03di-1930000000-9c4cc64a835bc038a341
Source of Spectrum AD-0-2532-0
Synonyms 4-(2-Amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenyl 2-thiophenecarboxylate 2-Thiophenecarboxylic acid [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl)phenyl] ester [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl] thiophene-2-carboxylate [4-(2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl)phenyl] thiophene-2-carboxylate
Wiley ID 1420473