3-(5-ethoxycarbonyl-3-methyl-pyrazol-1-yl)-4-methylsulfonyl-benzoic acid

Systemtic Name: 3-(5-ethoxycarbonyl-3-methyl-pyrazol-1-yl)-4-methylsulfonyl-benzoic acid Openeye Name: 3-(5-ethoxycarbonyl-3-methyl-pyrazol-1-yl)-4-methylsulfonyl-benzoic acid CAS Name: 3-(5-ethoxycarbonyl-3-methyl-1-pyrazolyl)-4-methylsulfonylbenzoic acid IUPAC Name: 3-(5-ethoxycarbonyl-3-methylpyrazol-1-yl)-4-methylsulfonylbenzoic acid Traditional Name: 3-(5-carbethoxy-3-methyl-pyrazol-1-yl)-4-mesyl-benzoic acid Formula: C15H16N2O6S MolecularWeight: 352.36234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C2=C(C=CC(=C2)C(=O)O)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C2=C(C=CC(=C2)C(=O)O)S(=O)(=O)C)C

InChI

InChI=1S/C15H16N2O6S/c1-4-23-15(20)12-7-9(2)16-17(12)11-8-10(14(18)19)5-6-13(11)24(3,21)22/h5-8H,4H2,1-3H3,(H,18,19)