methyl 4-(2-pyridin-2-ylethylsulfanyl)benzoate

Systemtic Name: methyl 4-(2-pyridin-2-ylethylsulfanyl)benzoate Openeye Name: methyl 4-[2-(2-pyridyl)ethylsulfanyl]benzoate CAS Name: 4-[2-(2-pyridinyl)ethylthio]benzoic acid methyl ester IUPAC Name: methyl 4-(2-pyridin-2-ylethylsulfanyl)benzoate Traditional Name: 4-[2-(2-pyridyl)ethylthio]benzoic acid methyl ester Formula: C15H15NO2S MolecularWeight: 273.3501

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SCCC2=CC=CC=N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SCCC2=CC=CC=N2

InChI

InChI=1S/C15H15NO2S/c1-18-15(17)12-5-7-14(8-6-12)19-11-9-13-4-2-3-10-16-13/h2-8,10H,9,11H2,1H3