2-(1,3-benzothiazol-2-yl)-2-(4-oxidanylidene-1H-phthalazin-1-yl)ethanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-(4-oxidanylidene-1H-phthalazin-1-yl)ethanoic acid Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetic acid CAS Name: 2-(1,3-benzothiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetic acid IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetic acid Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(4-keto-1H-phthalazin-1-yl)acetic acid Formula: C17H11N3O3S MolecularWeight: 337.35254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(N=NC2=O)C(C3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(N=NC2=O)C(C3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C17H11N3O3S/c21-15-10-6-2-1-5-9(10)14(19-20-15)13(17(22)23)16-18-11-7-3-4-8-12(11)24-16/h1-8,13-14H,(H,22,23)