2-(ethanoylsulfanylmethyl)-3-pyridin-4-yl-propanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-pyridin-4-yl-propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(4-pyridyl)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-pyridin-4-ylpropanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-pyridin-4-ylpropanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(4-pyridyl)propionic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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