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

Systemtic Name: [2-[ethanoyl-(2-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(N-acetyl-2-methoxy-anilino)thiazol-4-yl]methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-(N-acetyl-2-methoxyanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(N-acetyl-2-methoxy-anilino)thiazol-4-yl]methyl ester Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1OC)C2=NC(=CS2)COC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1OC)C2=NC(=CS2)COC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H18N4O5S/c1-13(27)26(17-9-5-6-10-18(17)30-2)22-23-14(12-32-22)11-31-21(29)19-15-7-3-4-8-16(15)20(28)25-24-19/h3-10,12H,11H2,1-2H3,(H,25,28)