[(2R)-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [(1R)-1-methyl-2-morpholino-2-oxo-ethyl] 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid [(2R)-1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid [(1R)-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=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N1CCOCC1)OC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S/c1-15(20(25)23-9-11-27-12-10-23)28-21(26)17-14-24(16-6-3-2-4-7-16)22-19(17)18-8-5-13-29-18/h2-8,13-15H,9-12H2,1H3/t15-/m1/s1