[2-(1,3-benzothiazol-2-yl)phenyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-(1,3-benzothiazol-2-yl)phenyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-yl)phenyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-yl)phenyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester Formula: C23H15N3O3S MolecularWeight: 413.4485

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H15N3O3S/c1-26-22(27)15-9-3-2-8-14(15)20(25-26)23(28)29-18-12-6-4-10-16(18)21-24-17-11-5-7-13-19(17)30-21/h2-13H,1H3