ethyl 5-[(4-tert-butylphenyl)carbonylamino]-3-(4-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-[(4-tert-butylphenyl)carbonylamino]-3-(4-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(4-tert-butylbenzoyl)amino]-4-oxo-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-(4-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-tert-butylbenzoyl)amino]-3-(4-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[(4-tert-butylbenzoyl)amino]-4-keto-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4S/c1-6-34-26(33)22-20-15-35-24(28-23(31)17-9-11-18(12-10-17)27(3,4)5)21(20)25(32)30(29-22)19-13-7-16(2)8-14-19/h7-15H,6H2,1-5H3,(H,28,31)