(2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 3-methyl-1-(p-tolylmethyl)thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-[(4-methylphenyl)methyl]-5-thieno[2,3-c]pyrazolecarboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-(4-methylbenzyl)thieno[2,3-c]pyrazole-5-carboxylic acid (2-keto-2-piperidino-ethyl) ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=C(S3)C(=O)OCC(=O)N4CCCCC4)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=C(S3)C(=O)OCC(=O)N4CCCCC4)C(=N2)C

InChI

InChI=1S/C22H25N3O3S/c1-15-6-8-17(9-7-15)13-25-21-18(16(2)23-25)12-19(29-21)22(27)28-14-20(26)24-10-4-3-5-11-24/h6-9,12H,3-5,10-11,13-14H2,1-2H3