2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfanyl]propanoic acid CAS Name: 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylthio]propanoic acid IUPAC Name: 2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylthio]propionic acid Formula: C12H17NO3S MolecularWeight: 255.33328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CSC(C)C(=O)O

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CSC(C)C(=O)O

InChI

InChI=1S/C12H17NO3S/c1-7-5-13-10(8(2)11(7)16-4)6-17-9(3)12(14)15/h5,9H,6H2,1-4H3,(H,14,15)