[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(benzofuran-2-yl)-2-oxo-ethyl] 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid [2-(2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid [2-(benzofuran-2-yl)-2-keto-ethyl] ester Formula: C24H16N2O4S MolecularWeight: 428.45984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C24H16N2O4S/c27-19(21-13-16-7-4-5-10-20(16)30-21)15-29-24(28)18-14-26(17-8-2-1-3-9-17)25-23(18)22-11-6-12-31-22/h1-14H,15H2