[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-(4-methylsulfonylphenyl)-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-(4-methylsulfonylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylphenyl)-2-oxoethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-keto-2-(4-mesylphenyl)ethyl] ester Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CN1C=C(C=N1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C14H14N2O5S/c1-16-8-11(7-15-16)14(18)21-9-13(17)10-3-5-12(6-4-10)22(2,19)20/h3-8H,9H2,1-2H3