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5-carbamoyl-2-[(2-cyano-1-oxoethyl)amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester
SpectraBase Compound ID 8gxjFaj5yTA
InChI InChI=1S/C12H13N3O4S/c1-3-19-12(18)8-6(2)9(10(14)17)20-11(8)15-7(16)4-5-13/h3-4H2,1-2H3,(H2,14,17)(H,15,16)
InChIKey NTAAVOIQSPRTFZ-UHFFFAOYSA-N
Mol Weight 295.31 g/mol
Molecular Formula C12H13N3O4S
Exact Mass 295.062677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gE7fQ2ync4
Name 5-carbamoyl-2-[(2-cyano-1-oxoethyl)amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O4S
InChI InChI=1S/C12H13N3O4S/c1-3-19-12(18)8-6(2)9(10(14)17)20-11(8)15-7(16)4-5-13/h3-4H2,1-2H3,(H2,14,17)(H,15,16)
InChIKey NTAAVOIQSPRTFZ-UHFFFAOYSA-N
Molecular Weight 295.313 g/mol
SMILES N(C(=O)CC#N)c1c(c(c(C(N)=O)s1)C)C(OCC)=O
SPLASH splash10-0aov-9460000000-16afc5e4336207c18f7f
Synonyms Ethyl 5-aminocarbonyl-2-(2-cyanoethanoylamino)-4-methyl-thiophene-3-carboxylate Ethyl 5-carbamoyl-2-[(2-cyanoacetyl)amino]-4-methyl-thiophene-3-carboxylate Ethyl 5-carbamoyl-2-[(2-cyanoacetyl)amino]-4-methylthiophene-3-carboxylate
Wiley ID 1511039