(2-oxidanylidenecyclohexyl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: (2-oxidanylidenecyclohexyl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: (2-oxocyclohexyl) 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid (2-ketocyclohexyl) ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CCC(=O)C(C1)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C20H18N2O3S/c23-17-9-4-5-10-18(17)25-20(24)16-13-15(19-11-6-12-26-19)21-22(16)14-7-2-1-3-8-14/h1-3,6-8,11-13,18H,4-5,9-10H2