[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(4-ethoxycarbonyl-1-piperidyl)-1-methyl-2-oxo-ethyl] 1-isobutyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-(2-methylpropyl)-5-thieno[2,3-c]pyrazolecarboxylic acid [1-(4-ethoxycarbonyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-isobutyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid [2-(4-carbethoxypiperidino)-2-keto-1-methyl-ethyl] ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)OC(=O)C2=CC3=C(S2)N(N=C3C)CC(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)OC(=O)C2=CC3=C(S2)N(N=C3C)CC(C)C

InChI

InChI=1S/C22H31N3O5S/c1-6-29-21(27)16-7-9-24(10-8-16)19(26)15(5)30-22(28)18-11-17-14(4)23-25(12-13(2)3)20(17)31-18/h11,13,15-16H,6-10,12H2,1-5H3