2-[(4-chlorophenyl)methyl]-3-(phenylcarbonylsulfanyl)propanoic acid

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-(phenylcarbonylsulfanyl)propanoic acid Openeye Name: 2-(benzoylsulfanylmethyl)-3-(4-chlorophenyl)propanoic acid CAS Name: 2-[(benzoylthio)methyl]-3-(4-chlorophenyl)propanoic acid IUPAC Name: 2-(benzoylsulfanylmethyl)-3-(4-chlorophenyl)propanoic acid Traditional Name: 2-[(benzoylthio)methyl]-3-(4-chlorophenyl)propionic acid Formula: C17H15ClO3S MolecularWeight: 334.8172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCC(CC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC(CC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C17H15ClO3S/c18-15-8-6-12(7-9-15)10-14(16(19)20)11-22-17(21)13-4-2-1-3-5-13/h1-9,14H,10-11H2,(H,19,20)