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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN(C2=O)CC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN(C2=O)CC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H13N3O4S/c22-16(25-10-15-19-13-7-3-4-8-14(13)26-15)9-21-18(24)12-6-2-1-5-11(12)17(23)20-21/h1-8H,9-10H2,(H,20,23)