(2R)-3-[[4-(hydroxymethyl)-2-methyl-1-benzofuran-6-yl]sulfanyl]-2-oxidanyl-propanoic acid

Systemtic Name: (2R)-3-[[4-(hydroxymethyl)-2-methyl-1-benzofuran-6-yl]sulfanyl]-2-oxidanyl-propanoic acid Openeye Name: (2R)-2-hydroxy-3-[4-(hydroxymethyl)-2-methyl-benzofuran-6-yl]sulfanyl-propanoic acid CAS Name: (2R)-2-hydroxy-3-[[4-(hydroxymethyl)-2-methyl-6-benzofuranyl]thio]propanoic acid IUPAC Name: (2R)-2-hydroxy-3-[[4-(hydroxymethyl)-2-methyl-1-benzofuran-6-yl]sulfanyl]propanoic acid Traditional Name: (2R)-2-hydroxy-3-[(2-methyl-4-methylol-benzofuran-6-yl)thio]propionic acid Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=C(C=C2CO)SCC(C(=O)O)O

Isomeric SMILES

CC1=CC2=C(O1)C=C(C=C2CO)SC[C@@H](C(=O)O)O

InChI

InChI=1S/C13H14O5S/c1-7-2-10-8(5-14)3-9(4-12(10)18-7)19-6-11(15)13(16)17/h2-4,11,14-15H,5-6H2,1H3,(H,16,17)/t11-/m0/s1