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

Systemtic Name: ethyl 5-[(2,4-dichlorophenyl)carbonylamino]-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(2,4-dichlorobenzoyl)amino]-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[(2,4-dichlorophenyl)-oxomethyl]amino]-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2,4-dichlorobenzoyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[(2,4-dichlorobenzoyl)amino]-4-keto-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C22H15Cl2N3O4S MolecularWeight: 488.3432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15Cl2N3O4S/c1-2-31-22(30)18-15-11-32-20(25-19(28)14-9-8-12(23)10-16(14)24)17(15)21(29)27(26-18)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,25,28)