2-[3-[(5-chloranyl-7-fluoranyl-1,3-benzothiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(5-chloranyl-7-fluoranyl-1,3-benzothiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-[(5-chloro-7-fluoro-1,3-benzothiazol-2-yl)methyl]-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-[(5-chloro-7-fluoro-1,3-benzothiazol-2-yl)methyl]-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-[(5-chloro-7-fluoro-1,3-benzothiazol-2-yl)methyl]-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-[(5-chloro-7-fluoro-1,3-benzothiazol-2-yl)methyl]-4-keto-phthalazin-1-yl]acetic acid Formula: C18H11ClFN3O3S MolecularWeight: 403.814643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=CC(=CC(=C4S3)F)Cl)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=CC(=CC(=C4S3)F)Cl)CC(=O)O

InChI

InChI=1S/C18H11ClFN3O3S/c19-9-5-12(20)17-14(6-9)21-15(27-17)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h1-6H,7-8H2,(H,24,25)