[(3-chlorophenyl)-(3-methylsulfanylphenyl)boranyl] 3-oxidanylpyridine-2-carboxylate

Systemtic Name: [(3-chlorophenyl)-(3-methylsulfanylphenyl)boranyl] 3-oxidanylpyridine-2-carboxylate Openeye Name: [(3-chlorophenyl)-(3-methylsulfanylphenyl)boranyl] 3-hydroxypyridine-2-carboxylate CAS Name: 3-hydroxy-2-pyridinecarboxylic acid [(3-chlorophenyl)-[3-(methylthio)phenyl]boranyl] ester IUPAC Name: [(3-chlorophenyl)-(3-methylsulfanylphenyl)boranyl] 3-hydroxypyridine-2-carboxylate Traditional Name: 3-hydroxypicolinic acid [(3-chlorophenyl)-[3-(methylthio)phenyl]boranyl] ester Formula: C19H15BClNO3S MolecularWeight: 383.6563

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC=C1)SC)(C2=CC(=CC=C2)Cl)OC(=O)C3=C(C=CC=N3)O

Isomeric SMILES

B(C1=CC(=CC=C1)SC)(C2=CC(=CC=C2)Cl)OC(=O)C3=C(C=CC=N3)O

InChI

InChI=1S/C19H15BClNO3S/c1-26-16-8-3-6-14(12-16)20(13-5-2-7-15(21)11-13)25-19(24)18-17(23)9-4-10-22-18/h2-12,23H,1H3