2-[4-[[2-(oxan-4-yloxy)-3-oxidanylidene-cyclopenten-1-yl]sulfanylmethyl]phenyl]propanoic acid

Systemtic Name: 2-[4-[[2-(oxan-4-yloxy)-3-oxidanylidene-cyclopenten-1-yl]sulfanylmethyl]phenyl]propanoic acid Openeye Name: 2-[4-[(3-oxo-2-tetrahydropyran-4-yloxy-cyclopenten-1-yl)sulfanylmethyl]phenyl]propanoic acid CAS Name: 2-[4-[[[2-(4-oxanyloxy)-3-oxo-1-cyclopentenyl]thio]methyl]phenyl]propanoic acid IUPAC Name: 2-[4-[[2-(oxan-4-yloxy)-3-oxocyclopenten-1-yl]sulfanylmethyl]phenyl]propanoic acid Traditional Name: 2-[4-[[(3-keto-2-tetrahydropyran-4-yloxy-cyclopenten-1-yl)thio]methyl]phenyl]propionic acid Formula: C20H24O5S MolecularWeight: 376.46656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)CSC2=C(C(=O)CC2)OC3CCOCC3)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)CSC2=C(C(=O)CC2)OC3CCOCC3)C(=O)O

InChI

InChI=1S/C20H24O5S/c1-13(20(22)23)15-4-2-14(3-5-15)12-26-18-7-6-17(21)19(18)25-16-8-10-24-11-9-16/h2-5,13,16H,6-12H2,1H3,(H,22,23)