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

Systemtic Name: [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(4-chlorophenyl)thiazol-4-yl]methyl 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [2-(4-chlorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [2-(4-chlorophenyl)thiazol-4-yl]methyl ester Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3O3S/c1-2-25-20(26)17-6-4-3-5-16(17)18(24-25)21(27)28-11-15-12-29-19(23-15)13-7-9-14(22)10-8-13/h3-10,12H,2,11H2,1H3