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

Systemtic Name: ethyl 5-(cyclopropylcarbonylamino)-3-(3-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(cyclopropanecarbonylamino)-3-(m-tolyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[cyclopropyl(oxo)methyl]amino]-3-(3-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(cyclopropanecarbonylamino)-3-(3-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(cyclopropanecarbonylamino)-4-keto-3-(m-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3CC3)C4=CC=CC(=C4)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3CC3)C4=CC=CC(=C4)C

InChI

InChI=1S/C20H19N3O4S/c1-3-27-20(26)16-14-10-28-18(21-17(24)12-7-8-12)15(14)19(25)23(22-16)13-6-4-5-11(2)9-13/h4-6,9-10,12H,3,7-8H2,1-2H3,(H,21,24)