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

Systemtic Name: ethyl 5-[(4-tert-butylphenyl)carbonylamino]-3-(4-methoxyphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[(4-tert-butylbenzoyl)amino]-4-keto-3-(4-methoxyphenyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C27H27N3O5S MolecularWeight: 505.58538

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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)OC

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)OC

InChI

InChI=1S/C27H27N3O5S/c1-6-35-26(33)22-20-15-36-24(28-23(31)16-7-9-17(10-8-16)27(2,3)4)21(20)25(32)30(29-22)18-11-13-19(34-5)14-12-18/h7-15H,6H2,1-5H3,(H,28,31)