[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl] 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-[(2R,6R)-2,6-dimethyl-4-morpholinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-(4-fluorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid [2-[(2R,6R)-2,6-dimethylmorpholino]-2-keto-ethyl] ester Formula: C21H22FN3O4S MolecularWeight: 431.480483

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=C(C=C4)F

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)C(=O)COC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O4S/c1-12-9-24(10-13(2)29-12)19(26)11-28-21(27)18-8-17-14(3)23-25(20(17)30-18)16-6-4-15(22)5-7-16/h4-8,12-13H,9-11H2,1-3H3/t12-,13-/m1/s1