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

Systemtic Name: ethyl 5-[(4-butoxyphenyl)carbonylamino]-3-(4-methoxyphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(4-butoxybenzoyl)amino]-3-(4-methoxyphenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[(4-butoxyphenyl)-oxomethyl]amino]-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-butoxybenzoyl)amino]-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[(4-butoxybenzoyl)amino]-4-keto-3-(4-methoxyphenyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C27H27N3O6S MolecularWeight: 521.58478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C3C(=CS2)C(=NN(C3=O)C4=CC=C(C=C4)OC)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=C3C(=CS2)C(=NN(C3=O)C4=CC=C(C=C4)OC)C(=O)OCC

InChI

InChI=1S/C27H27N3O6S/c1-4-6-15-36-20-11-7-17(8-12-20)24(31)28-25-22-21(16-37-25)23(27(33)35-5-2)29-30(26(22)32)18-9-13-19(34-3)14-10-18/h7-14,16H,4-6,15H2,1-3H3,(H,28,31)