ethyl 4-oxidanylidene-3-phenyl-5-(2-propylpentanoylamino)thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-3-phenyl-5-(2-propylpentanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 4-oxo-3-phenyl-5-(2-propylpentanoylamino)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 4-oxo-5-[(1-oxo-2-propylpentyl)amino]-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-3-phenyl-5-(2-propylpentanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-5-(2-propylpentanoylamino)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCC(CCC)C(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H27N3O4S/c1-4-10-15(11-5-2)20(27)24-21-18-17(14-31-21)19(23(29)30-6-3)25-26(22(18)28)16-12-8-7-9-13-16/h7-9,12-15H,4-6,10-11H2,1-3H3,(H,24,27)