2-(5-azanyl-7-bromanyl-1-ethoxycarbonyl-4-oxidanylidene-thieno[3,4-d]pyridazin-3-yl)benzoic acid

Systemtic Name: 2-(5-azanyl-7-bromanyl-1-ethoxycarbonyl-4-oxidanylidene-thieno[3,4-d]pyridazin-3-yl)benzoic acid Openeye Name: 2-(5-amino-7-bromo-1-ethoxycarbonyl-4-oxo-thieno[3,4-d]pyridazin-3-yl)benzoic acid CAS Name: 2-(5-amino-7-bromo-1-ethoxycarbonyl-4-oxo-3-thieno[3,4-d]pyridazinyl)benzoic acid IUPAC Name: 2-(5-amino-7-bromo-1-ethoxycarbonyl-4-oxothieno[3,4-d]pyridazin-3-yl)benzoic acid Traditional Name: 2-(5-amino-7-bromo-1-carbethoxy-4-keto-thieno[3,4-d]pyridazin-3-yl)benzoic acid Formula: C16H12BrN3O5S MolecularWeight: 438.25258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC(=C21)Br)N)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC(=C21)Br)N)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H12BrN3O5S/c1-2-25-16(24)11-9-10(13(18)26-12(9)17)14(21)20(19-11)8-6-4-3-5-7(8)15(22)23/h3-6H,2,18H2,1H3,(H,22,23)