2-(2-phenethylsulfanylpyran-2-yl)propanoic acid

Systemtic Name: 2-(2-phenethylsulfanylpyran-2-yl)propanoic acid Openeye Name: 2-(2-phenethylsulfanylpyran-2-yl)propanoic acid CAS Name: 2-[2-(phenethylthio)-2-pyranyl]propanoic acid IUPAC Name: 2-(2-phenethylsulfanylpyran-2-yl)propanoic acid Traditional Name: 2-[2-(phenethylthio)pyran-2-yl]propionic acid Formula: C16H18O3S MolecularWeight: 290.37732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)C1(C=CC=CO1)SCCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)C1(C=CC=CO1)SCCC2=CC=CC=C2

InChI

InChI=1S/C16H18O3S/c1-13(15(17)18)16(10-5-6-11-19-16)20-12-9-14-7-3-2-4-8-14/h2-8,10-11,13H,9,12H2,1H3,(H,17,18)