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

Systemtic Name: 4-oxidanylidene-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]phthalazine-1-carboxylate Openeye Name: 4-oxo-3-[[2-(2-thienyl)oxazol-4-yl]methyl]phthalazine-1-carboxylate CAS Name: 4-oxo-3-[(2-thiophen-2-yl-4-oxazolyl)methyl]-1-phthalazinecarboxylate IUPAC Name: 4-oxo-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]phthalazine-1-carboxylate Traditional Name: 4-keto-3-[[2-(2-thienyl)oxazol-4-yl]methyl]phthalazine-1-carboxylate Formula: C17H10N3O4S- MolecularWeight: 352.344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=COC(=N3)C4=CC=CS4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=COC(=N3)C4=CC=CS4)C(=O)[O-]

InChI

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