2-(ethanoylsulfanylmethyl)-3-phenyl-propanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-phenyl-propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-phenyl-propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-phenylpropanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-phenylpropanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-phenyl-propionic acid Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O3S/c1-9(13)16-8-11(12(14)15)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,15)