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

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 1-butyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-butyl-6-oxo-3-pyridazinecarboxylic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1-butyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-butyl-6-keto-pyridazine-3-carboxylic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-4-5-10-24-19(25)9-7-16(23-24)21(26)29-12-15-13-30-20(22-15)14-6-8-17(27-2)18(11-14)28-3/h6-9,11,13H,4-5,10,12H2,1-3H3