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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=N1)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=N1)C(=O)O

InChI

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