[1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(2-fluoroanilino)-1-methyl-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 [1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-fluoroanilino)-1-oxopropan-2-yl] 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-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H18FN3O3S MolecularWeight: 423.460023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC(C)C(=O)NC3=CC=CC=C3F)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC(C)C(=O)NC3=CC=CC=C3F)C4=CC=CC=C4

InChI

InChI=1S/C22H18FN3O3S/c1-13-16-12-19(30-21(16)26(25-13)15-8-4-3-5-9-15)22(28)29-14(2)20(27)24-18-11-7-6-10-17(18)23/h3-12,14H,1-2H3,(H,24,27)