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

Systemtic Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-(2,3-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NC(=CS2)COC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NC(=CS2)COC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H17N3O5S/c1-27-16-9-5-8-15(18(16)28-2)20-22-12(11-30-20)10-29-21(26)17-13-6-3-4-7-14(13)19(25)24-23-17/h3-9,11H,10H2,1-2H3,(H,24,25)