2-[3-[1-(5-oxidanylidenecyclopenten-1-yl)sulfanylpropan-2-yl]phenyl]propanoic acid

Systemtic Name: 2-[3-[1-(5-oxidanylidenecyclopenten-1-yl)sulfanylpropan-2-yl]phenyl]propanoic acid Openeye Name: 2-[3-[1-methyl-2-(5-oxocyclopenten-1-yl)sulfanyl-ethyl]phenyl]propanoic acid CAS Name: 2-[3-[1-[(5-oxo-1-cyclopentenyl)thio]propan-2-yl]phenyl]propanoic acid IUPAC Name: 2-[3-[1-(5-oxocyclopenten-1-yl)sulfanylpropan-2-yl]phenyl]propanoic acid Traditional Name: 2-[3-[2-[(5-ketocyclopenten-1-yl)thio]-1-methyl-ethyl]phenyl]propionic acid Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CCCC1=O)C2=CC=CC(=C2)C(C)C(=O)O

Isomeric SMILES

CC(CSC1=CCCC1=O)C2=CC=CC(=C2)C(C)C(=O)O

InChI

InChI=1S/C17H20O3S/c1-11(10-21-16-8-4-7-15(16)18)13-5-3-6-14(9-13)12(2)17(19)20/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,19,20)