methyl 4-oxidanyl-3-(pyridin-2-ylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-oxidanyl-3-(pyridin-2-ylsulfanylmethyl)benzoate Openeye Name: methyl 4-hydroxy-3-(2-pyridylsulfanylmethyl)benzoate CAS Name: 4-hydroxy-3-[(2-pyridinylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-hydroxy-3-(pyridin-2-ylsulfanylmethyl)benzoate Traditional Name: 4-hydroxy-3-[(2-pyridylthio)methyl]benzoic acid methyl ester Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)O)CSC2=CC=CC=N2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)O)CSC2=CC=CC=N2

InChI

InChI=1S/C14H13NO3S/c1-18-14(17)10-5-6-12(16)11(8-10)9-19-13-4-2-3-7-15-13/h2-8,16H,9H2,1H3