2-(ethanoylsulfanylmethyl)-3-pyridin-3-yl-propanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-pyridin-3-yl-propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(3-pyridyl)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(3-pyridinyl)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-pyridin-3-ylpropanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(3-pyridyl)propionic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CN=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CN=CC=C1)C(=O)O

InChI

InChI=1S/C11H13NO3S/c1-8(13)16-7-10(11(14)15)5-9-3-2-4-12-6-9/h2-4,6,10H,5,7H2,1H3,(H,14,15)