2-[3-[(6-fluoranyl-5-methoxy-1,3-benzothiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(6-fluoranyl-5-methoxy-1,3-benzothiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-[(6-fluoro-5-methoxy-1,3-benzothiazol-2-yl)methyl]-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-[(6-fluoro-5-methoxy-1,3-benzothiazol-2-yl)methyl]-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-[(6-fluoro-5-methoxy-1,3-benzothiazol-2-yl)methyl]-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-[(6-fluoro-5-methoxy-1,3-benzothiazol-2-yl)methyl]-4-keto-phthalazin-1-yl]acetic acid Formula: C19H14FN3O4S MolecularWeight: 399.395563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O)F

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O)F

InChI

InChI=1S/C19H14FN3O4S/c1-27-15-7-14-16(6-12(15)20)28-17(21-14)9-23-19(26)11-5-3-2-4-10(11)13(22-23)8-18(24)25/h2-7H,8-9H2,1H3,(H,24,25)