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

Systemtic Name: [(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(1-piperidyl)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 [(2R)-1-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 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 [(1R)-2-keto-1-methyl-2-piperidino-ethyl] ester Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC(C)C(=O)N3CCCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)O[C@H](C)C(=O)N3CCCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O3S/c1-13-17-12-18(21(27)28-14(2)19(26)24-10-4-3-5-11-24)29-20(17)25(23-13)16-8-6-15(22)7-9-16/h6-9,12,14H,3-5,10-11H2,1-2H3/t14-/m1/s1