(2-methyl-1,3-thiazol-4-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: (2-methyl-1,3-thiazol-4-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (2-methylthiazol-4-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (2-methyl-4-thiazolyl)methyl ester IUPAC Name: (2-methyl-1,3-thiazol-4-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (2-methylthiazol-4-yl)methyl ester Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=NC(=CS1)COC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C14H11N3O3S/c1-8-15-9(7-21-8)6-20-14(19)12-10-4-2-3-5-11(10)13(18)17-16-12/h2-5,7H,6H2,1H3,(H,17,18)