2-(2-methyl-3-methylsulfanylcarbonyl-phenyl)propanoic acid

Systemtic Name: 2-(2-methyl-3-methylsulfanylcarbonyl-phenyl)propanoic acid Openeye Name: 2-(2-methyl-3-methylsulfanylcarbonyl-phenyl)propanoic acid CAS Name: 2-[2-methyl-3-[(methylthio)-oxomethyl]phenyl]propanoic acid IUPAC Name: 2-(2-methyl-3-methylsulfanylcarbonylphenyl)propanoic acid Traditional Name: 2-[2-methyl-3-(methylthio)carbonyl-phenyl]propionic acid Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(C)C(=O)O)C(=O)SC

Isomeric SMILES

CC1=C(C=CC=C1C(C)C(=O)O)C(=O)SC

InChI

InChI=1S/C12H14O3S/c1-7-9(8(2)11(13)14)5-4-6-10(7)12(15)16-3/h4-6,8H,1-3H3,(H,13,14)