3-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]propanoic acid

Systemtic Name: 3-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]propanoic acid Openeye Name: 3-[(2-chloro-5-methylsulfanyl-benzoyl)amino]propanoic acid CAS Name: 3-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoic acid Traditional Name: 3-[[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:

CSC1=CC(=C(C=C1)Cl)C(=O)NCCC(=O)O

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)NCCC(=O)O

InChI

InChI=1S/C11H12ClNO3S/c1-17-7-2-3-9(12)8(6-7)11(16)13-5-4-10(14)15/h2-3,6H,4-5H2,1H3,(H,13,16)(H,14,15)