2-(phenylcarbonylsulfanylmethyl)-3-(3-propan-2-ylphenyl)propanoic acid

Systemtic Name: 2-(phenylcarbonylsulfanylmethyl)-3-(3-propan-2-ylphenyl)propanoic acid Openeye Name: 2-(benzoylsulfanylmethyl)-3-(3-isopropylphenyl)propanoic acid CAS Name: 2-[(benzoylthio)methyl]-3-(3-propan-2-ylphenyl)propanoic acid IUPAC Name: 2-(benzoylsulfanylmethyl)-3-(3-propan-2-ylphenyl)propanoic acid Traditional Name: 2-[(benzoylthio)methyl]-3-m-cumenyl-propionic acid Formula: C20H22O3S MolecularWeight: 342.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)C1=CC=CC(=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H22O3S/c1-14(2)17-10-6-7-15(11-17)12-18(19(21)22)13-24-20(23)16-8-4-3-5-9-16/h3-11,14,18H,12-13H2,1-2H3,(H,21,22)