2-(ethanoylsulfanylmethyl)-3-(3-ethylphenoxy)propanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-(3-ethylphenoxy)propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(3-ethylphenoxy)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(3-ethylphenoxy)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(3-ethylphenoxy)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(3-ethylphenoxy)propionic acid Formula: C14H18O4S MolecularWeight: 282.35532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CSC(=O)C)C(=O)O

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(CSC(=O)C)C(=O)O

InChI

InChI=1S/C14H18O4S/c1-3-11-5-4-6-13(7-11)18-8-12(14(16)17)9-19-10(2)15/h4-7,12H,3,8-9H2,1-2H3,(H,16,17)