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

Systemtic Name: 3-[2-[(3-chlorophenyl)methylsulfanyl]ethanoylamino]butanoic acid Openeye Name: 3-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanoic acid CAS Name: 3-[[2-[(3-chlorophenyl)methylthio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanoic acid Traditional Name: 3-[[2-[(3-chlorobenzyl)thio]acetyl]amino]butyric acid Formula: C13H16ClNO3S MolecularWeight: 301.78904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CSCC1=CC(=CC=C1)Cl

Isomeric SMILES

CC(CC(=O)O)NC(=O)CSCC1=CC(=CC=C1)Cl

InChI

InChI=1S/C13H16ClNO3S/c1-9(5-13(17)18)15-12(16)8-19-7-10-3-2-4-11(14)6-10/h2-4,6,9H,5,7-8H2,1H3,(H,15,16)(H,17,18)