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

Systemtic Name: ethyl 5-[2-(3,4-dimethoxyphenyl)ethanoylamino]-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(homoveratroylamino)-4-keto-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C25H23N3O6S MolecularWeight: 493.53162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O6S/c1-4-34-25(31)22-17-14-35-23(21(17)24(30)28(27-22)16-8-6-5-7-9-16)26-20(29)13-15-10-11-18(32-2)19(12-15)33-3/h5-12,14H,4,13H2,1-3H3,(H,26,29)