(6-chloranylpyridazin-4-yl) 3-(2-cyclopropyl-6-methyl-phenoxy)-5-ethanoyl-thiophene-2-carboxylate

Systemtic Name: (6-chloranylpyridazin-4-yl) 3-(2-cyclopropyl-6-methyl-phenoxy)-5-ethanoyl-thiophene-2-carboxylate Openeye Name: (6-chloropyridazin-4-yl) 5-acetyl-3-(2-cyclopropyl-6-methyl-phenoxy)thiophene-2-carboxylate CAS Name: 5-acetyl-3-(2-cyclopropyl-6-methylphenoxy)-2-thiophenecarboxylic acid (6-chloro-4-pyridazinyl) ester IUPAC Name: (6-chloropyridazin-4-yl) 5-acetyl-3-(2-cyclopropyl-6-methylphenoxy)thiophene-2-carboxylate Traditional Name: 5-acetyl-3-(2-cyclopropyl-6-methyl-phenoxy)thiophene-2-carboxylic acid (6-chloropyridazin-4-yl) ester Formula: C21H17ClN2O4S MolecularWeight: 428.88868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=C(SC(=C2)C(=O)C)C(=O)OC3=CC(=NN=C3)Cl)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2=C(SC(=C2)C(=O)C)C(=O)OC3=CC(=NN=C3)Cl)C4CC4

InChI

InChI=1S/C21H17ClN2O4S/c1-11-4-3-5-15(13-6-7-13)19(11)28-16-9-17(12(2)25)29-20(16)21(26)27-14-8-18(22)24-23-10-14/h3-5,8-10,13H,6-7H2,1-2H3