1-(3-ethoxy-4-methylsulfonyl-phenyl)-5-[4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-(3-ethoxy-4-methylsulfonyl-phenyl)-5-[4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid Openeye Name: 1-(3-ethoxy-4-methylsulfonyl-phenyl)-5-[4-(2-furyl)phenyl]pyrazole-3-carboxylic acid CAS Name: 1-(3-ethoxy-4-methylsulfonylphenyl)-5-[4-(2-furanyl)phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-(3-ethoxy-4-methylsulfonylphenyl)-5-[4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid Traditional Name: 1-(3-ethoxy-4-mesyl-phenyl)-5-[4-(2-furyl)phenyl]pyrazole-3-carboxylic acid Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)C4=CC=CO4)S(=O)(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)C4=CC=CO4)S(=O)(=O)C

InChI

InChI=1S/C23H20N2O6S/c1-3-30-21-13-17(10-11-22(21)32(2,28)29)25-19(14-18(24-25)23(26)27)15-6-8-16(9-7-15)20-5-4-12-31-20/h4-14H,3H2,1-2H3,(H,26,27)