(2-ethoxy-2-oxidanylidene-ethyl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: (2-ethoxy-2-oxidanylidene-ethyl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: (2-ethoxy-2-oxo-ethyl) 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid (2-ethoxy-2-oxoethyl) ester IUPAC Name: (2-ethoxy-2-oxoethyl) 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid (2-ethoxy-2-keto-ethyl) ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C18H16N2O4S/c1-2-23-17(21)12-24-18(22)15-11-14(16-9-6-10-25-16)19-20(15)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3