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

Systemtic Name: [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(2-methoxyphenyl)thiazol-4-yl]methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-(2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(2-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=CS2)COC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=CS2)COC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H15N3O4S/c1-26-16-9-5-4-8-15(16)19-21-12(11-28-19)10-27-20(25)17-13-6-2-3-7-14(13)18(24)23-22-17/h2-9,11H,10H2,1H3,(H,23,24)