ethyl 3-(4-methoxyphenyl)-4-oxidanylidene-5-(4-phenylbutanoylamino)thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 3-(4-methoxyphenyl)-4-oxidanylidene-5-(4-phenylbutanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-methoxyphenyl)-4-oxo-5-(4-phenylbutanoylamino)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-4-oxo-5-[(1-oxo-4-phenylbutyl)amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methoxyphenyl)-4-oxo-5-(4-phenylbutanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-(4-methoxyphenyl)-5-(4-phenylbutanoylamino)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CCCC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CCCC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H25N3O5S/c1-3-34-26(32)23-20-16-35-24(27-21(30)11-7-10-17-8-5-4-6-9-17)22(20)25(31)29(28-23)18-12-14-19(33-2)15-13-18/h4-6,8-9,12-16H,3,7,10-11H2,1-2H3,(H,27,30)