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

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(4-isopropylphenyl)-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 [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 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-keto-2-p-cumenyl-ethyl) ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)C3=CC=C(C=C3)C(C)C)CC(C)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)C3=CC=C(C=C3)C(C)C)CC(C)C

InChI

InChI=1S/C22H26N2O3S/c1-13(2)11-24-21-18(15(5)23-24)10-20(28-21)22(26)27-12-19(25)17-8-6-16(7-9-17)14(3)4/h6-10,13-14H,11-12H2,1-5H3