phenyl 2-(pyridin-4-ylmethylsulfanyl)propanoate

Systemtic Name: phenyl 2-(pyridin-4-ylmethylsulfanyl)propanoate Openeye Name: phenyl 2-(4-pyridylmethylsulfanyl)propanoate CAS Name: 2-(pyridin-4-ylmethylthio)propanoic acid phenyl ester IUPAC Name: phenyl 2-(pyridin-4-ylmethylsulfanyl)propanoate Traditional Name: 2-(4-pyridylmethylthio)propionic acid phenyl ester Formula: C15H15NO2S MolecularWeight: 273.3501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=CC=C1)SCC2=CC=NC=C2

Isomeric SMILES

CC(C(=O)OC1=CC=CC=C1)SCC2=CC=NC=C2

InChI

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