2-[2-oxidanylidene-2-(2-phenylpropylamino)ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-oxidanylidene-2-(2-phenylpropylamino)ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-oxo-2-(2-phenylpropylamino)ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-oxo-2-(2-phenylpropylamino)ethyl]thio]propanoic acid IUPAC Name: 2-[2-oxo-2-(2-phenylpropylamino)ethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-keto-2-(2-phenylpropylamino)ethyl]thio]propionic acid Formula: C14H19NO3S MolecularWeight: 281.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-10(12-6-4-3-5-7-12)8-15-13(16)9-19-11(2)14(17)18/h3-7,10-11H,8-9H2,1-2H3,(H,15,16)(H,17,18)