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

Systemtic Name: [3-[(5-chloranyl-7-fluoranyl-1,3-benzothiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl] butanoate Openeye Name: [3-[(5-chloro-7-fluoro-1,3-benzothiazol-2-yl)methyl]-4-oxo-phthalazin-1-yl] butanoate CAS Name: butanoic acid [3-[(5-chloro-7-fluoro-1,3-benzothiazol-2-yl)methyl]-4-oxo-1-phthalazinyl] ester IUPAC Name: [3-[(5-chloro-7-fluoro-1,3-benzothiazol-2-yl)methyl]-4-oxophthalazin-1-yl] butanoate Traditional Name: butyric acid [3-[(5-chloro-7-fluoro-1,3-benzothiazol-2-yl)methyl]-4-keto-phthalazin-1-yl] ester Formula: C20H15ClFN3O3S MolecularWeight: 431.867803

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=NN(C(=O)C2=CC=CC=C21)CC3=NC4=CC(=CC(=C4S3)F)Cl

Isomeric SMILES

CCCC(=O)OC1=NN(C(=O)C2=CC=CC=C21)CC3=NC4=CC(=CC(=C4S3)F)Cl

InChI

InChI=1S/C20H15ClFN3O3S/c1-2-5-17(26)28-19-12-6-3-4-7-13(12)20(27)25(24-19)10-16-23-15-9-11(21)8-14(22)18(15)29-16/h3-4,6-9H,2,5,10H2,1H3