[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [(2S)-1-methoxy-1-oxidanylidene-propan-2-yl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [(1S)-2-methoxy-1-methyl-2-oxo-ethyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [(2S)-1-methoxy-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-methoxy-1-oxopropan-2-yl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [(1S)-2-keto-2-methoxy-1-methyl-ethyl] ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)OC)OC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C18H16N2O4S/c1-12(17(21)23-2)24-18(22)15-11-14(16-9-6-10-25-16)19-20(15)13-7-4-3-5-8-13/h3-12H,1-2H3/t12-/m0/s1