ethyl 5-[(2-bromophenyl)carbonylamino]-3-(4-methoxyphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-[(2-bromophenyl)carbonylamino]-3-(4-methoxyphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(2-bromobenzoyl)amino]-3-(4-methoxyphenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[(2-bromophenyl)-oxomethyl]amino]-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-bromobenzoyl)amino]-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[(2-bromobenzoyl)amino]-4-keto-3-(4-methoxyphenyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C23H18BrN3O5S MolecularWeight: 528.37512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=CC=C3Br)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=CC=C3Br)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H18BrN3O5S/c1-3-32-23(30)19-16-12-33-21(25-20(28)15-6-4-5-7-17(15)24)18(16)22(29)27(26-19)13-8-10-14(31-2)11-9-13/h4-12H,3H2,1-2H3,(H,25,28)