3-[2-(4-chlorophenyl)sulfanylpropanoylamino]propanoic acid

Systemtic Name: 3-[2-(4-chlorophenyl)sulfanylpropanoylamino]propanoic acid Openeye Name: 3-[2-(4-chlorophenyl)sulfanylpropanoylamino]propanoic acid CAS Name: 3-[[2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[2-(4-chlorophenyl)sulfanylpropanoylamino]propanoic acid Traditional Name: 3-[2-[(4-chlorophenyl)thio]propanoylamino]propionic acid Formula: C12H14ClNO3S MolecularWeight: 287.76246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC(=O)O)SC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C(=O)NCCC(=O)O)SC1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H14ClNO3S/c1-8(12(17)14-7-6-11(15)16)18-10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3,(H,14,17)(H,15,16)