ethyl 6-ethyl-3-methyl-4-(3-nitrophenyl)-7-oxidanylidene-thieno[2,3-d]pyridazine-2-carboxylate

Systemtic Name: ethyl 6-ethyl-3-methyl-4-(3-nitrophenyl)-7-oxidanylidene-thieno[2,3-d]pyridazine-2-carboxylate Openeye Name: ethyl 6-ethyl-3-methyl-4-(3-nitrophenyl)-7-oxo-thieno[2,3-d]pyridazine-2-carboxylate CAS Name: 6-ethyl-3-methyl-4-(3-nitrophenyl)-7-oxo-2-thieno[2,3-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-3-methyl-4-(3-nitrophenyl)-7-oxothieno[2,3-d]pyridazine-2-carboxylate Traditional Name: 6-ethyl-7-keto-3-methyl-4-(3-nitrophenyl)thieno[2,3-d]pyridazine-2-carboxylic acid ethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C(=C(S2)C(=O)OCC)C)C(=N1)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=O)C2=C(C(=C(S2)C(=O)OCC)C)C(=N1)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5S/c1-4-20-17(22)16-13(10(3)15(27-16)18(23)26-5-2)14(19-20)11-7-6-8-12(9-11)21(24)25/h6-9H,4-5H2,1-3H3