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

Systemtic Name: ethyl 5-azanyl-3-(4-ethoxycarbonylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-amino-3-(4-ethoxycarbonylphenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-amino-3-(4-ethoxycarbonylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-(4-ethoxycarbonylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-amino-3-(4-carbethoxyphenyl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(SC=C3C(=N2)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(SC=C3C(=N2)C(=O)OCC)N

InChI

InChI=1S/C18H17N3O5S/c1-3-25-17(23)10-5-7-11(8-6-10)21-16(22)13-12(9-27-15(13)19)14(20-21)18(24)26-4-2/h5-9H,3-4,19H2,1-2H3