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

Systemtic Name: [2-[ethanoyl-(2-fluorophenyl)amino]-1,3-thiazol-4-yl]methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(N-acetyl-2-fluoro-anilino)thiazol-4-yl]methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-(N-acetyl-2-fluoroanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2-fluoroanilino)-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-fluoro-anilino)thiazol-4-yl]methyl ester Formula: C21H15FN4O4S MolecularWeight: 438.431603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1F)C2=NC(=CS2)COC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1F)C2=NC(=CS2)COC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H15FN4O4S/c1-12(27)26(17-9-5-4-8-16(17)22)21-23-13(11-31-21)10-30-20(29)18-14-6-2-3-7-15(14)19(28)25-24-18/h2-9,11H,10H2,1H3,(H,25,28)