2-methyl-3-(2-phenylethanoylsulfanyl)propanoic acid

Systemtic Name: 2-methyl-3-(2-phenylethanoylsulfanyl)propanoic acid Openeye Name: 2-methyl-3-(2-phenylacetyl)sulfanyl-propanoic acid CAS Name: 2-methyl-3-[(1-oxo-2-phenylethyl)thio]propanoic acid IUPAC Name: 2-methyl-3-(2-phenylacetyl)sulfanylpropanoic acid Traditional Name: 2-methyl-3-[(2-phenylacetyl)thio]propionic acid Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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