3-phenyl-2-[2-(phenylmethyl)-3-sulfanyl-propanoyl]oxy-propanoic acid

Systemtic Name: 3-phenyl-2-[2-(phenylmethyl)-3-sulfanyl-propanoyl]oxy-propanoic acid Openeye Name: 2-(2-benzyl-3-sulfanyl-propanoyl)oxy-3-phenyl-propanoic acid CAS Name: 2-[2-(mercaptomethyl)-1-oxo-3-phenylpropoxy]-3-phenylpropanoic acid IUPAC Name: 2-(2-benzyl-3-sulfanylpropanoyl)oxy-3-phenylpropanoic acid Traditional Name: 2-(2-benzyl-3-mercapto-propanoyl)oxy-3-phenyl-propionic acid Formula: C19H20O4S MolecularWeight: 344.4247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)OC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)OC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H20O4S/c20-18(21)17(12-15-9-5-2-6-10-15)23-19(22)16(13-24)11-14-7-3-1-4-8-14/h1-10,16-17,24H,11-13H2,(H,20,21)