2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-ethanoylsulfanyl-propanoic acid

Systemtic Name: 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-ethanoylsulfanyl-propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(2,3-dihydrobenzofuran-5-yl)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(2,3-dihydrobenzofuran-5-yl)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-coumaran-5-yl-propionic acid Formula: C14H16O4S MolecularWeight: 280.33944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC2=C(C=C1)OCC2)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC2=C(C=C1)OCC2)C(=O)O

InChI

InChI=1S/C14H16O4S/c1-9(15)19-8-12(14(16)17)7-10-2-3-13-11(6-10)4-5-18-13/h2-3,6,12H,4-5,7-8H2,1H3,(H,16,17)