2-[3-(1,3-benzothiazol-2-ylmethyl)-4-oxidanylidene-6-(trifluoromethyl)phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-4-oxidanylidene-6-(trifluoromethyl)phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-4-oxo-6-(trifluoromethyl)phthalazin-1-yl]acetic acid CAS Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-4-oxo-6-(trifluoromethyl)-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-4-oxo-6-(trifluoromethyl)phthalazin-1-yl]acetic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-4-keto-6-(trifluoromethyl)phthalazin-1-yl]acetic acid Formula: C19H12F3N3O3S MolecularWeight: 419.37709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-11-12(7-10)18(28)25(24-14(11)8-17(26)27)9-16-23-13-3-1-2-4-15(13)29-16/h1-7H,8-9H2,(H,26,27)