ethyl 4-[(3-methylthiophen-2-yl)methylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[(3-methylthiophen-2-yl)methylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 4-[(3-methyl-2-thienyl)methylene]-5-oxo-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-[(3-methyl-2-thiophenyl)methylidene]-5-oxo-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methylthiophen-2-yl)methylidene]-5-oxo-1-phenylpyrazole-3-carboxylate Traditional Name: 5-keto-4-[(3-methyl-2-thienyl)methylene]-1-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1=CC2=C(C=CS2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C1=CC2=C(C=CS2)C)C3=CC=CC=C3

InChI

InChI=1S/C18H16N2O3S/c1-3-23-18(22)16-14(11-15-12(2)9-10-24-15)17(21)20(19-16)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3