4-oxidanylidene-3-[2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[2-oxo-2-[[phenyl(2-thienyl)methyl]amino]ethyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[[phenyl(2-thienyl)methyl]amino]ethyl]phthalazine-1-carboxylic acid Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C22H17N3O4S/c26-18(23-19(17-11-6-12-30-17)14-7-2-1-3-8-14)13-25-21(27)16-10-5-4-9-15(16)20(24-25)22(28)29/h1-12,19H,13H2,(H,23,26)(H,28,29)