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

Systemtic Name: [2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-oxo-2-(2-phenoxyethylamino)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-(2-phenoxyethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyethylamino)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-(2-phenoxyethylamino)ethyl] ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NCCOC3=CC=CC=C3)CC(C)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NCCOC3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C21H25N3O4S/c1-14(2)12-24-20-17(15(3)23-24)11-18(29-20)21(26)28-13-19(25)22-9-10-27-16-7-5-4-6-8-16/h4-8,11,14H,9-10,12-13H2,1-3H3,(H,22,25)