3-oxidanylidenebutan-2-yl 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid (2-keto-1-methyl-propyl) ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CS3

InChI

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