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6-[(4-Acetyl-phenylcarbamoyl)-methylsulfanyl]-5-cyano-2-hydroxy-nicotinic acid ethyl ester
SpectraBase Compound ID 9QFUxgtGrMq
InChI InChI=1S/C19H17N3O5S/c1-3-27-19(26)15-8-13(9-20)18(22-17(15)25)28-10-16(24)21-14-6-4-12(5-7-14)11(2)23/h4-8H,3,10H2,1-2H3,(H,21,24)(H,22,25)
InChIKey FNZWPOYLFOLJND-UHFFFAOYSA-N
Mol Weight 399.42 g/mol
Molecular Formula C19H17N3O5S
Exact Mass 399.088892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GBj4sRqmzgn
Name 6-[(4-Acetyl-phenylcarbamoyl)-methylsulfanyl]-5-cyano-2-hydroxy-nicotinic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17N3O5S
InChI InChI=1S/C19H17N3O5S/c1-3-27-19(26)15-8-13(9-20)18(22-17(15)25)28-10-16(24)21-14-6-4-12(5-7-14)11(2)23/h4-8H,3,10H2,1-2H3,(H,21,24)(H,22,25)
InChIKey FNZWPOYLFOLJND-UHFFFAOYSA-N
Molecular Weight 399.421 g/mol
SMILES N(C(CSc1nc(c(cc1C#N)C(=O)OCC)O)=O)c1ccc(C(=O)C)cc1
SPLASH splash10-00rf-3920000000-9a2fb2027aa5f5207ed0
Synonyms 6-[[2-(4-acetylanilino)-2-keto-ethyl]thio]-5-cyano-2-keto-1H-pyridine-3-carboxylic acid ethyl ester 6-[[2-(4-acetylanilino)-2-oxoethyl]thio]-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid ethyl ester Ethyl 5-cyano-6-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-1H-pyridine-3-carboxylate Ethyl 6-([2-(4-acetylanilino)-2-oxoethyl]sulfanyl)-5-cyano-2-hydroxynicotinate Ethyl 6-[2-(4-acetylanilino)-2-oxo-ethyl]sulfanyl-5-cyano-2-oxo-1H-pyridine-3-carboxylate
Wiley ID 1465009