ethyl 5-[3-(1-benzothiophen-3-ylcarbonylamino)phenyl]-1-(3-fluorophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[3-(1-benzothiophen-3-ylcarbonylamino)phenyl]-1-(3-fluorophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-[3-(benzothiophene-3-carbonylamino)phenyl]-1-(3-fluorophenyl)pyrazole-3-carboxylate CAS Name: 5-[3-[[1-benzothiophen-3-yl(oxo)methyl]amino]phenyl]-1-(3-fluorophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(1-benzothiophene-3-carbonylamino)phenyl]-1-(3-fluorophenyl)pyrazole-3-carboxylate Traditional Name: 5-[3-(benzothiophene-3-carbonylamino)phenyl]-1-(3-fluorophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C27H20FN3O3S MolecularWeight: 485.529403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC(=CC=C2)NC(=O)C3=CSC4=CC=CC=C43)C5=CC(=CC=C5)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC(=CC=C2)NC(=O)C3=CSC4=CC=CC=C43)C5=CC(=CC=C5)F

InChI

InChI=1S/C27H20FN3O3S/c1-2-34-27(33)23-15-24(31(30-23)20-10-6-8-18(28)14-20)17-7-5-9-19(13-17)29-26(32)22-16-35-25-12-4-3-11-21(22)25/h3-16H,2H2,1H3,(H,29,32)