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

Systemtic Name: 2-[3-[1-(1,3-benzothiazol-2-yl)ethyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-[1-(1,3-benzothiazol-2-yl)ethyl]-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-[1-(1,3-benzothiazol-2-yl)ethyl]-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-[1-(1,3-benzothiazol-2-yl)ethyl]-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-[1-(1,3-benzothiazol-2-yl)ethyl]-4-keto-phthalazin-1-yl]acetic acid Formula: C19H15N3O3S MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O

InChI

InChI=1S/C19H15N3O3S/c1-11(18-20-14-8-4-5-9-16(14)26-18)22-19(25)13-7-3-2-6-12(13)15(21-22)10-17(23)24/h2-9,11H,10H2,1H3,(H,23,24)