3-[2-[3-ethanoylsulfanyl-2-(ethanoylsulfanylmethyl)propanoyl]oxyphenyl]propanoic acid

Systemtic Name: 3-[2-[3-ethanoylsulfanyl-2-(ethanoylsulfanylmethyl)propanoyl]oxyphenyl]propanoic acid Openeye Name: 3-[2-[3-acetylsulfanyl-2-(acetylsulfanylmethyl)propanoyl]oxyphenyl]propanoic acid CAS Name: 3-[2-[3-(acetylthio)-2-[(acetylthio)methyl]-1-oxopropoxy]phenyl]propanoic acid IUPAC Name: 3-[2-[3-acetylsulfanyl-2-(acetylsulfanylmethyl)propanoyl]oxyphenyl]propanoic acid Traditional Name: 3-[2-[3-(acetylthio)-2-[(acetylthio)methyl]propanoyl]oxyphenyl]propionic acid Formula: C17H20O6S2 MolecularWeight: 384.4671

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CSC(=O)C)C(=O)OC1=CC=CC=C1CCC(=O)O

Isomeric SMILES

CC(=O)SCC(CSC(=O)C)C(=O)OC1=CC=CC=C1CCC(=O)O

InChI

InChI=1S/C17H20O6S2/c1-11(18)24-9-14(10-25-12(2)19)17(22)23-15-6-4-3-5-13(15)7-8-16(20)21/h3-6,14H,7-10H2,1-2H3,(H,20,21)