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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H13N3O3S/c22-17(24-10-16-19-13-7-3-4-8-15(13)25-16)9-14-11-5-1-2-6-12(11)18(23)21-20-14/h1-8H,9-10H2,(H,21,23)