3-[2-[(3-chlorophenyl)methylsulfanyl]ethanoylamino]propanoic acid

Systemtic Name: 3-[2-[(3-chlorophenyl)methylsulfanyl]ethanoylamino]propanoic acid Openeye Name: 3-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]propanoic acid CAS Name: 3-[[2-[(3-chlorophenyl)methylthio]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]propanoic acid Traditional Name: 3-[[2-[(3-chlorobenzyl)thio]acetyl]amino]propionic acid Formula: C12H14ClNO3S MolecularWeight: 287.76246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CSCC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CSCC(=O)NCCC(=O)O

InChI

InChI=1S/C12H14ClNO3S/c13-10-3-1-2-9(6-10)7-18-8-11(15)14-5-4-12(16)17/h1-3,6H,4-5,7-8H2,(H,14,15)(H,16,17)