ethyl 5-[3-(1-benzothiophen-5-ylcarbonylamino)phenyl]-1-pyridin-2-yl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[3-(1-benzothiophen-5-ylcarbonylamino)phenyl]-1-pyridin-2-yl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[3-(benzothiophene-5-carbonylamino)phenyl]-1-(2-pyridyl)pyrazole-3-carboxylate CAS Name: 5-[3-[[1-benzothiophen-5-yl(oxo)methyl]amino]phenyl]-1-(2-pyridinyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(1-benzothiophene-5-carbonylamino)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate Traditional Name: 5-[3-(benzothiophene-5-carbonylamino)phenyl]-1-(2-pyridyl)pyrazole-3-carboxylic acid ethyl ester Formula: C26H20N4O3S MolecularWeight: 468.527

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=CC4=C(C=C3)SC=C4)C5=CC=CC=N5

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)SC=C4)C5=CC=CC=N5

InChI

InChI=1S/C26H20N4O3S/c1-2-33-26(32)21-16-22(30(29-21)24-8-3-4-12-27-24)17-6-5-7-20(15-17)28-25(31)19-9-10-23-18(14-19)11-13-34-23/h3-16H,2H2,1H3,(H,28,31)