ethyl 3-propylsulfanyl-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 3-propylsulfanyl-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-propylsulfanyl-3-(3-pyridyl)propanoate CAS Name: 3-(propylthio)-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-propylsulfanyl-3-pyridin-3-ylpropanoate Traditional Name: 3-(propylthio)-3-(3-pyridyl)propionic acid ethyl ester Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(CC(=O)OCC)C1=CN=CC=C1

Isomeric SMILES

CCCSC(CC(=O)OCC)C1=CN=CC=C1

InChI

InChI=1S/C13H19NO2S/c1-3-8-17-12(9-13(15)16-4-2)11-6-5-7-14-10-11/h5-7,10,12H,3-4,8-9H2,1-2H3