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

Systemtic Name: [2-[ethanoyl(phenyl)amino]-1,3-thiazol-4-yl]methyl 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [2-(N-acetylanilino)thiazol-4-yl]methyl 1-butyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-butyl-6-oxo-3-pyridazinecarboxylic acid [2-(N-acetylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 1-butyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-butyl-6-keto-pyridazine-3-carboxylic acid [2-(N-acetylanilino)thiazol-4-yl]methyl ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S/c1-3-4-12-24-19(27)11-10-18(23-24)20(28)29-13-16-14-30-21(22-16)25(15(2)26)17-8-6-5-7-9-17/h5-11,14H,3-4,12-13H2,1-2H3