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

Systemtic Name: [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [2-(2-methoxyphenyl)thiazol-4-yl]methyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [2-(2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [2-(2-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C27H21N3O4S MolecularWeight: 483.53834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=CS2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=CS2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H21N3O4S/c1-33-23-14-8-7-13-22(23)25-28-19(17-35-25)16-34-27(32)24-20-11-5-6-12-21(20)26(31)30(29-24)15-18-9-3-2-4-10-18/h2-14,17H,15-16H2,1H3