2-[3-[(7-fluoranyl-6-methyl-1,3-benzothiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(7-fluoranyl-6-methyl-1,3-benzothiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-[(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)methyl]-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-[(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)methyl]-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-[(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)methyl]-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-[(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)methyl]-4-keto-phthalazin-1-yl]acetic acid Formula: C19H14FN3O3S MolecularWeight: 383.396163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(S2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O)F

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O)F

InChI

InChI=1S/C19H14FN3O3S/c1-10-6-7-13-18(17(10)20)27-15(21-13)9-23-19(26)12-5-3-2-4-11(12)14(22-23)8-16(24)25/h2-7H,8-9H2,1H3,(H,24,25)