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

Systemtic Name: 2-[4-oxidanylidene-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]phthalazin-1-yl]ethanoic acid Openeye Name: 2-[4-oxo-3-[(4-phenylthiazol-2-yl)methyl]phthalazin-1-yl]acetic acid CAS Name: 2-[4-oxo-3-[(4-phenyl-2-thiazolyl)methyl]-1-phthalazinyl]acetic acid IUPAC Name: 2-[4-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]phthalazin-1-yl]acetic acid Traditional Name: 2-[4-keto-3-[(4-phenylthiazol-2-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=CSC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O

InChI

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