(2S)-3-(4-chlorophenyl)-2-ethanoylsulfanyl-propanoic acid

Systemtic Name: (2S)-3-(4-chlorophenyl)-2-ethanoylsulfanyl-propanoic acid Openeye Name: (2S)-2-acetylsulfanyl-3-(4-chlorophenyl)propanoic acid CAS Name: (2S)-2-(acetylthio)-3-(4-chlorophenyl)propanoic acid IUPAC Name: (2S)-2-acetylsulfanyl-3-(4-chlorophenyl)propanoic acid Traditional Name: (2S)-2-(acetylthio)-3-(4-chlorophenyl)propionic acid Formula: C11H11ClO3S MolecularWeight: 258.72124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CC(=O)S[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C11H11ClO3S/c1-7(13)16-10(11(14)15)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,14,15)/t10-/m0/s1