(2S)-2-[(2S)-3-ethanoylsulfanyl-2-methyl-propanoyl]oxy-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(2S)-3-ethanoylsulfanyl-2-methyl-propanoyl]oxy-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(2S)-3-acetylsulfanyl-2-methyl-propanoyl]oxy-3-phenyl-propanoic acid CAS Name: (2S)-2-[(2S)-3-(acetylthio)-2-methyl-1-oxopropoxy]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]oxy-3-phenylpropanoic acid Traditional Name: (2S)-2-[(2S)-3-(acetylthio)-2-methyl-propanoyl]oxy-3-phenyl-propionic acid Formula: C15H18O5S MolecularWeight: 310.36542

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)OC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H18O5S/c1-10(9-21-11(2)16)15(19)20-13(14(17)18)8-12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3,(H,17,18)/t10-,13+/m1/s1