2-[(4-ethoxyphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(4-ethoxyphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[(4-ethoxyphenyl)methylsulfanyl]propanoic acid CAS Name: 2-[(4-ethoxyphenyl)methylthio]propanoic acid IUPAC Name: 2-[(4-ethoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[(4-ethoxybenzyl)thio]propionic acid Formula: C12H16O3S MolecularWeight: 240.31864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CSC(C)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CSC(C)C(=O)O

InChI

InChI=1S/C12H16O3S/c1-3-15-11-6-4-10(5-7-11)8-16-9(2)12(13)14/h4-7,9H,3,8H2,1-2H3,(H,13,14)