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

Systemtic Name: 2-[3-[1-(5-chloranyl-1,3-benzothiazol-2-yl)ethyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-[1-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-[1-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-[1-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-[1-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-keto-phthalazin-1-yl]acetic acid Formula: C19H14ClN3O3S MolecularWeight: 399.85076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(S1)C=CC(=C2)Cl)N3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O

Isomeric SMILES

CC(C1=NC2=C(S1)C=CC(=C2)Cl)N3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O

InChI

InChI=1S/C19H14ClN3O3S/c1-10(18-21-15-8-11(20)6-7-16(15)27-18)23-19(26)13-5-3-2-4-12(13)14(22-23)9-17(24)25/h2-8,10H,9H2,1H3,(H,24,25)