ethyl 5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carboxylate CAS Name: 5-methyl-1-(4-methylsulfonylphenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-mesylphenyl)-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S/c1-4-20-14(17)13-9-15-16(10(13)2)11-5-7-12(8-6-11)21(3,18)19/h5-9H,4H2,1-3H3