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

Systemtic Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [2-(2,3-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C27H21N3O5S MolecularWeight: 499.53774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NC(=CS2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NC(=CS2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O5S/c1-33-22-14-8-13-21(24(22)34-2)25-28-17(16-36-25)15-35-27(32)23-19-11-6-7-12-20(19)26(31)30(29-23)18-9-4-3-5-10-18/h3-14,16H,15H2,1-2H3