[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 1-(4-fluorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C26H24FN3O4S MolecularWeight: 493.549863

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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)NC(=O)CC(C)C)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)C3=CC=C(C=C3)NC(=O)CC(C)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H24FN3O4S/c1-15(2)12-24(32)28-19-8-4-17(5-9-19)22(31)14-34-26(33)23-13-21-16(3)29-30(25(21)35-23)20-10-6-18(27)7-11-20/h4-11,13,15H,12,14H2,1-3H3,(H,28,32)