ethyl 2-oxidanyl-2-(3-pyridin-3-ylpropylsulfanyl)ethanoate

Systemtic Name: ethyl 2-oxidanyl-2-(3-pyridin-3-ylpropylsulfanyl)ethanoate Openeye Name: ethyl 2-hydroxy-2-[3-(3-pyridyl)propylsulfanyl]acetate CAS Name: 2-hydroxy-2-[3-(3-pyridinyl)propylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-2-(3-pyridin-3-ylpropylsulfanyl)acetate Traditional Name: 2-hydroxy-2-[3-(3-pyridyl)propylthio]acetic acid ethyl ester Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(O)SCCCC1=CN=CC=C1

Isomeric SMILES

CCOC(=O)C(O)SCCCC1=CN=CC=C1

InChI

InChI=1S/C12H17NO3S/c1-2-16-11(14)12(15)17-8-4-6-10-5-3-7-13-9-10/h3,5,7,9,12,15H,2,4,6,8H2,1H3