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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CSC(=N3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CSC(=N3)C4=CC=C(C=C4)C

InChI

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