2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]propanoic acid

Systemtic Name: 2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]propanoic acid Openeye Name: 2-[(2-chloro-5-methylsulfanyl-benzoyl)amino]propanoic acid CAS Name: 2-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoic acid Traditional Name: 2-[[2-chloro-5-(methylthio)benzoyl]amino]propionic acid Formula: C11H12ClNO3S MolecularWeight: 273.73588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=C(C=CC(=C1)SC)Cl

Isomeric SMILES

CC(C(=O)O)NC(=O)C1=C(C=CC(=C1)SC)Cl

InChI

InChI=1S/C11H12ClNO3S/c1-6(11(15)16)13-10(14)8-5-7(17-2)3-4-9(8)12/h3-6H,1-2H3,(H,13,14)(H,15,16)