1,3-benzothiazol-2-ylmethyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C24H17N3O3S MolecularWeight: 427.47508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H17N3O3S/c28-23-18-11-5-4-10-17(18)22(26-27(23)14-16-8-2-1-3-9-16)24(29)30-15-21-25-19-12-6-7-13-20(19)31-21/h1-13H,14-15H2