[2-[ethanoyl-(2-fluorophenyl)amino]-1,3-thiazol-4-yl]methyl 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [2-[ethanoyl-(2-fluorophenyl)amino]-1,3-thiazol-4-yl]methyl 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [2-(N-acetyl-2-fluoro-anilino)thiazol-4-yl]methyl 1-butyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-butyl-6-oxo-3-pyridazinecarboxylic acid [2-(N-acetyl-2-fluoroanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 1-butyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-butyl-6-keto-pyridazine-3-carboxylic acid [2-(N-acetyl-2-fluoro-anilino)thiazol-4-yl]methyl ester Formula: C21H21FN4O4S MolecularWeight: 444.479243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)OCC2=CSC(=N2)N(C3=CC=CC=C3F)C(=O)C

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)OCC2=CSC(=N2)N(C3=CC=CC=C3F)C(=O)C

InChI

InChI=1S/C21H21FN4O4S/c1-3-4-11-25-19(28)10-9-17(24-25)20(29)30-12-15-13-31-21(23-15)26(14(2)27)18-8-6-5-7-16(18)22/h5-10,13H,3-4,11-12H2,1-2H3