ethyl 2-(4-methylphenyl)sulfonyl-3-oxidanylidene-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 2-(4-methylphenyl)sulfonyl-3-oxidanylidene-1H-pyrazole-4-carboxylate Openeye Name: ethyl 3-oxo-2-(p-tolylsulfonyl)-1H-pyrazole-4-carboxylate CAS Name: 2-(4-methylphenyl)sulfonyl-3-oxo-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methylphenyl)sulfonyl-3-oxo-1H-pyrazole-4-carboxylate Traditional Name: 5-keto-1-tosyl-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNN(C1=O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=CNN(C1=O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C13H14N2O5S/c1-3-20-13(17)11-8-14-15(12(11)16)21(18,19)10-6-4-9(2)5-7-10/h4-8,14H,3H2,1-2H3