[2-oxidanylidene-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-oxo-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-oxo-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] ester IUPAC Name: [2-oxo-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-keto-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] ester Formula: C20H9ClF3NO4S MolecularWeight: 451.80297

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=C(N=CC=C4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=C(N=CC=C4)Cl

InChI

InChI=1S/C20H9ClF3NO4S/c21-17-13(5-2-6-25-17)18(26)28-12-8-14(16-15(9-12)30-19(27)29-16)10-3-1-4-11(7-10)20(22,23)24/h1-9H