4-oxidanylidene-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[[5-(2-thienyl)isoxazol-3-yl]methyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[(5-thiophen-2-yl-3-isoxazolyl)methyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[[5-(2-thienyl)isoxazol-3-yl]methyl]phthalazine-1-carboxylic acid Formula: C17H11N3O4S MolecularWeight: 353.35194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NOC(=C3)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NOC(=C3)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C17H11N3O4S/c21-16-12-5-2-1-4-11(12)15(17(22)23)18-20(16)9-10-8-13(24-19-10)14-6-3-7-25-14/h1-8H,9H2,(H,22,23)