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

Systemtic Name: [2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(4-methoxyanilino)thiazol-4-yl]methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-(4-methoxyanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-(p-anisidino)thiazol-4-yl]methyl ester Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)NC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H18N4O4S/c1-25-19(26)17-6-4-3-5-16(17)18(24-25)20(27)29-11-14-12-30-21(23-14)22-13-7-9-15(28-2)10-8-13/h3-10,12H,11H2,1-2H3,(H,22,23)