methyl 3-[2-(1-phenylpyrazol-4-yl)carbonylphenoxy]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(1-phenylpyrazol-4-yl)carbonylphenoxy]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]sulfonylthiophene-2-carboxylate CAS Name: 3-[2-[oxo-(1-phenyl-4-pyrazolyl)methyl]phenoxy]sulfonyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]sulfonylthiophene-2-carboxylate Traditional Name: 3-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C22H16N2O6S2 MolecularWeight: 468.50224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)OC2=CC=CC=C2C(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)OC2=CC=CC=C2C(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H16N2O6S2/c1-29-22(26)21-19(11-12-31-21)32(27,28)30-18-10-6-5-9-17(18)20(25)15-13-23-24(14-15)16-7-3-2-4-8-16/h2-14H,1H3