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

Systemtic Name: ethyl 3-(4-methoxyphenyl)-5-[(3-methylphenyl)carbamoylamino]-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-methoxyphenyl)-5-(m-tolylcarbamoylamino)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-5-[[(3-methylanilino)-oxomethyl]amino]-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methoxyphenyl)-5-[(3-methylphenyl)carbamoylamino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-(4-methoxyphenyl)-5-(m-tolylcarbamoylamino)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C24H22N4O5S MolecularWeight: 478.52028

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O5S/c1-4-33-23(30)20-18-13-34-21(26-24(31)25-15-7-5-6-14(2)12-15)19(18)22(29)28(27-20)16-8-10-17(32-3)11-9-16/h5-13H,4H2,1-3H3,(H2,25,26,31)