diethyl 5-[3-cyano-4-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-cyano-4-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-2-keto-4-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H25N3O6S MolecularWeight: 507.5582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2C(=NN(C2=O)C3=CC=CC=C3)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2C(=NN(C2=O)C3=CC=CC=C3)C)C#N

InChI

InChI=1S/C26H25N3O6S/c1-5-34-25(32)22-15(3)23(26(33)35-6-2)36-21(22)13-20(30)17(14-27)12-19-16(4)28-29(24(19)31)18-10-8-7-9-11-18/h7-12,19H,5-6,13H2,1-4H3