ethyl 5-azanyl-1-(furan-2-ylcarbonyl)-3-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(furan-2-ylcarbonyl)-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(furan-2-carbonyl)-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-[2-furanyl(oxo)methyl]-3-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(furan-2-carbonyl)-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-(2-furoyl)-3-(methylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC)C(=O)C2=CC=CO2)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC)C(=O)C2=CC=CO2)N

InChI

InChI=1S/C12H13N3O4S/c1-3-18-12(17)8-9(13)15(14-10(8)20-2)11(16)7-5-4-6-19-7/h4-6H,3,13H2,1-2H3