2-[4-oxidanylidene-3-[(3-phenyl-1,2-thiazol-5-yl)methyl]phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-oxidanylidene-3-[(3-phenyl-1,2-thiazol-5-yl)methyl]phthalazin-1-yl]ethanoic acid Openeye Name: 2-[4-oxo-3-[(3-phenylisothiazol-5-yl)methyl]phthalazin-1-yl]acetic acid CAS Name: 2-[4-oxo-3-[(3-phenyl-5-isothiazolyl)methyl]-1-phthalazinyl]acetic acid IUPAC Name: 2-[4-oxo-3-[(3-phenyl-1,2-thiazol-5-yl)methyl]phthalazin-1-yl]acetic acid Traditional Name: 2-[4-keto-3-[(3-phenylisothiazol-5-yl)methyl]phthalazin-1-yl]acetic acid Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O3S/c24-19(25)11-18-15-8-4-5-9-16(15)20(26)23(21-18)12-14-10-17(22-27-14)13-6-2-1-3-7-13/h1-10H,11-12H2,(H,24,25)