2-acetamido-3-[2-(hydroxymethyl)-3-methyl-4-oxidanylidene-cyclopent-2-en-1-yl]sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-[2-(hydroxymethyl)-3-methyl-4-oxidanylidene-cyclopent-2-en-1-yl]sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[2-(hydroxymethyl)-3-methyl-4-oxo-cyclopent-2-en-1-yl]sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[2-(hydroxymethyl)-3-methyl-4-oxo-1-cyclopent-2-enyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[2-(hydroxymethyl)-3-methyl-4-oxocyclopent-2-en-1-yl]sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[(4-keto-3-methyl-2-methylol-cyclopent-2-en-1-yl)thio]propionic acid Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC1=O)SCC(C(=O)O)NC(=O)C)CO

Isomeric SMILES

CC1=C(C(CC1=O)SCC(C(=O)O)NC(=O)C)CO

InChI

InChI=1S/C12H17NO5S/c1-6-8(4-14)11(3-10(6)16)19-5-9(12(17)18)13-7(2)15/h9,11,14H,3-5H2,1-2H3,(H,13,15)(H,17,18)