1,3-benzothiazol-2-ylmethyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H13N3O3S/c1-21-17(22)12-7-3-2-6-11(12)16(20-21)18(23)24-10-15-19-13-8-4-5-9-14(13)25-15/h2-9H,10H2,1H3