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

Systemtic Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-5-fluoranyl-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-5-fluoro-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-5-fluoro-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-5-fluoro-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-5-fluoro-4-keto-phthalazin-1-yl]acetic acid Formula: C18H12FN3O3S MolecularWeight: 369.369583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CN3C(=O)C4=C(C=CC=C4F)C(=N3)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CN3C(=O)C4=C(C=CC=C4F)C(=N3)CC(=O)O

InChI

InChI=1S/C18H12FN3O3S/c19-11-5-3-4-10-13(8-16(23)24)21-22(18(25)17(10)11)9-15-20-12-6-1-2-7-14(12)26-15/h1-7H,8-9H2,(H,23,24)