[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-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-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 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-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S/c1-15(2)13-26-21-18(16(3)24-26)12-19(30-21)22(28)29-14-20(27)25(11-7-10-23)17-8-5-4-6-9-17/h4-6,8-9,12,15H,7,11,13-14H2,1-3H3