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

Systemtic Name: 2-[3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-yl)-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-(1,3-benzothiazol-2-yl)-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-yl)-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)-4-keto-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(=NN(C2=O)C3=NC4=CC=CC=C4S3)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CC(=O)O

InChI

InChI=1S/C17H11N3O3S/c21-15(22)9-13-10-5-1-2-6-11(10)16(23)20(19-13)17-18-12-7-3-4-8-14(12)24-17/h1-8H,9H2,(H,21,22)