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

Systemtic Name: ethyl 5-acetamido-3-(3-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-acetamido-3-(m-tolyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-acetamido-3-(3-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetamido-3-(3-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-acetamido-4-keto-3-(m-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-4-25-18(24)15-13-9-26-16(19-11(3)22)14(13)17(23)21(20-15)12-7-5-6-10(2)8-12/h5-9H,4H2,1-3H3,(H,19,22)