2-[[2-(acetyloxymethyl)-5-oxidanylidene-cyclopent-3-en-1-yl]methylsulfanyl]propanoic acid

Systemtic Name: 2-[[2-(acetyloxymethyl)-5-oxidanylidene-cyclopent-3-en-1-yl]methylsulfanyl]propanoic acid Openeye Name: 2-[[2-(acetoxymethyl)-5-oxo-cyclopent-3-en-1-yl]methylsulfanyl]propanoic acid CAS Name: 2-[[2-(acetyloxymethyl)-5-oxo-1-cyclopent-3-enyl]methylthio]propanoic acid IUPAC Name: 2-[[2-(acetyloxymethyl)-5-oxocyclopent-3-en-1-yl]methylsulfanyl]propanoic acid Traditional Name: 2-[[2-(acetoxymethyl)-5-keto-cyclopent-3-en-1-yl]methylthio]propionic acid Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1C(C=CC1=O)COC(=O)C

Isomeric SMILES

CC(C(=O)O)SCC1C(C=CC1=O)COC(=O)C

InChI

InChI=1S/C12H16O5S/c1-7(12(15)16)18-6-10-9(3-4-11(10)14)5-17-8(2)13/h3-4,7,9-10H,5-6H2,1-2H3,(H,15,16)