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

Systemtic Name: 3-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]propanoate Openeye Name: 3-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfanyl]propanoate CAS Name: 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylthio]propanoate IUPAC Name: 3-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]propanoate Traditional Name: 3-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylthio]propionate Formula: C12H16NO3S- MolecularWeight: 254.32534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CSCCC(=O)[O-]

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CSCCC(=O)[O-]

InChI

InChI=1S/C12H17NO3S/c1-8-6-13-10(9(2)12(8)16-3)7-17-5-4-11(14)15/h6H,4-5,7H2,1-3H3,(H,14,15)/p-1