ethyl 5-[2-(4-ethoxyphenyl)ethanoylamino]-3-(4-fluorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-[2-(4-ethoxyphenyl)ethanoylamino]-3-(4-fluorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[[2-(4-ethoxyphenyl)acetyl]amino]-3-(4-fluorophenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[2-(4-ethoxyphenyl)-1-oxoethyl]amino]-3-(4-fluorophenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-ethoxyphenyl)acetyl]amino]-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(4-fluorophenyl)-4-keto-5-[(2-p-phenetylacetyl)amino]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C25H22FN3O5S MolecularWeight: 495.522683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)NC2=C3C(=CS2)C(=NN(C3=O)C4=CC=C(C=C4)F)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)NC2=C3C(=CS2)C(=NN(C3=O)C4=CC=C(C=C4)F)C(=O)OCC

InChI

InChI=1S/C25H22FN3O5S/c1-3-33-18-11-5-15(6-12-18)13-20(30)27-23-21-19(14-35-23)22(25(32)34-4-2)28-29(24(21)31)17-9-7-16(26)8-10-17/h5-12,14H,3-4,13H2,1-2H3,(H,27,30)