2-[(2-methylphenyl)methyl]-3-(phenylcarbonylsulfanyl)propanoic acid

Systemtic Name: 2-[(2-methylphenyl)methyl]-3-(phenylcarbonylsulfanyl)propanoic acid Openeye Name: 2-(benzoylsulfanylmethyl)-3-(o-tolyl)propanoic acid CAS Name: 2-[(benzoylthio)methyl]-3-(2-methylphenyl)propanoic acid IUPAC Name: 2-(benzoylsulfanylmethyl)-3-(2-methylphenyl)propanoic acid Traditional Name: 2-[(benzoylthio)methyl]-3-(o-tolyl)propionic acid Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CSC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CC(CSC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H18O3S/c1-13-7-5-6-10-15(13)11-16(17(19)20)12-22-18(21)14-8-3-2-4-9-14/h2-10,16H,11-12H2,1H3,(H,19,20)