(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-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-2-morpholino-ethyl) ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC(C(=O)N1CCOCC1)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H21N3O4S/c1-15(20(25)23-9-11-27-12-10-23)28-21(26)18-14-17(19-8-5-13-29-19)22-24(18)16-6-3-2-4-7-16/h2-8,13-15H,9-12H2,1H3