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

Systemtic Name: [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [2-(4-methoxyphenyl)thiazol-4-yl]methyl 1-butyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-butyl-6-oxo-3-pyridazinecarboxylic acid [2-(4-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-butyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-butyl-6-keto-pyridazine-3-carboxylic acid [2-(4-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-3-4-11-23-18(24)10-9-17(22-23)20(25)27-12-15-13-28-19(21-15)14-5-7-16(26-2)8-6-14/h5-10,13H,3-4,11-12H2,1-2H3