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

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-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-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-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-(tert-amylamino)-2-keto-ethyl] ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=CC2=C(S1)N(N=C2C)C3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=CC2=C(S1)N(N=C2C)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S/c1-5-20(3,4)21-17(24)12-26-19(25)16-11-15-13(2)22-23(18(15)27-16)14-9-7-6-8-10-14/h6-11H,5,12H2,1-4H3,(H,21,24)