(2-oxidanylidene-2-thiophen-2-yl-ethyl) 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H16N2O3S/c1-12-17(13(2)20(19-12)14-7-4-3-5-8-14)18(22)23-11-15(21)16-9-6-10-24-16/h3-10H,11H2,1-2H3