ethyl 5-[(3-methylphenyl)carbamoylamino]-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-[(3-methylphenyl)carbamoylamino]-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(m-tolylcarbamoylamino)-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[(3-methylanilino)-oxomethyl]amino]-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-methylphenyl)carbamoylamino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-5-(m-tolylcarbamoylamino)-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)NC3=CC=CC(=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)NC3=CC=CC(=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O4S/c1-3-31-22(29)19-17-13-32-20(25-23(30)24-15-9-7-8-14(2)12-15)18(17)21(28)27(26-19)16-10-5-4-6-11-16/h4-13H,3H2,1-2H3,(H2,24,25,30)