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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OC3=NC4=CC=CC=C4S3

InChI

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