5-azanyl-3-(3-carboxyphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylic acid

Systemtic Name: 5-azanyl-3-(3-carboxyphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylic acid Openeye Name: 5-amino-3-(3-carboxyphenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylic acid CAS Name: 5-amino-3-(3-carboxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid IUPAC Name: 5-amino-3-(3-carboxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylic acid Traditional Name: 5-amino-3-(3-carboxyphenyl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid Formula: C14H9N3O5S MolecularWeight: 331.30336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9N3O5S/c15-11-9-8(5-23-11)10(14(21)22)16-17(12(9)18)7-3-1-2-6(4-7)13(19)20/h1-5H,15H2,(H,19,20)(H,21,22)