[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H19N3O3S/c1-3-25-21(26)18-7-5-4-6-17(18)19(24-25)22(27)28-12-16-13-29-20(23-16)15-10-8-14(2)9-11-15/h4-11,13H,3,12H2,1-2H3