ethyl 2-(2-pyridin-4-ylethylsulfanyl)propanoate

Systemtic Name: ethyl 2-(2-pyridin-4-ylethylsulfanyl)propanoate Openeye Name: ethyl 2-[2-(4-pyridyl)ethylsulfanyl]propanoate CAS Name: 2-(2-pyridin-4-ylethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-(2-pyridin-4-ylethylsulfanyl)propanoate Traditional Name: 2-[2-(4-pyridyl)ethylthio]propionic acid ethyl ester Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SCCC1=CC=NC=C1

Isomeric SMILES

CCOC(=O)C(C)SCCC1=CC=NC=C1

InChI

InChI=1S/C12H17NO2S/c1-3-15-12(14)10(2)16-9-6-11-4-7-13-8-5-11/h4-5,7-8,10H,3,6,9H2,1-2H3