[(1S)-2-oxidanylidenecyclohexyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid [(1S)-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=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N2O3S/c23-16-9-4-5-10-17(16)25-20(24)15-13-22(14-7-2-1-3-8-14)21-19(15)18-11-6-12-26-18/h1-3,6-8,11-13,17H,4-5,9-10H2/t17-/m0/s1