methyl (2Z)-3-oxidanylidene-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-1-benzofuran-5-carboxylate

Systemtic Name: methyl (2Z)-3-oxidanylidene-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-1-benzofuran-5-carboxylate Openeye Name: methyl (2Z)-3-oxo-2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]benzofuran-5-carboxylate CAS Name: (2Z)-3-oxo-2-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylidene]-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl (2Z)-3-oxo-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-1-benzofuran-5-carboxylate Traditional Name: (2Z)-3-keto-2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]coumaran-5-carboxylic acid methyl ester Formula: C24H16N2O4S MolecularWeight: 428.45984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC(=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)C2=O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)O/C(=C\C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)/C2=O

InChI

InChI=1S/C24H16N2O4S/c1-29-24(28)15-9-10-19-18(12-15)23(27)20(30-19)13-16-14-26(17-6-3-2-4-7-17)25-22(16)21-8-5-11-31-21/h2-14H,1H3/b20-13-