[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C22H25N3O3S/c1-14-9-15(2)12-24(11-14)20(26)13-28-22(27)19-10-18-16(3)23-25(21(18)29-19)17-7-5-4-6-8-17/h4-8,10,14-15H,9,11-13H2,1-3H3