4-methylsulfanyl-2-[[2,3,6-tris(chloranyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2,3,6-tris(chloranyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(2,3,6-trichlorobenzoyl)amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-(2,3,6-trichlorophenyl)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(2,3,6-trichlorobenzoyl)amino]butanoic acid Traditional Name: 4-(methylthio)-2-[(2,3,6-trichlorobenzoyl)amino]butyric acid Formula: C12H12Cl3NO3S MolecularWeight: 356.65258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=CC(=C1Cl)Cl)Cl

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=CC(=C1Cl)Cl)Cl

InChI

InChI=1S/C12H12Cl3NO3S/c1-20-5-4-8(12(18)19)16-11(17)9-6(13)2-3-7(14)10(9)15/h2-3,8H,4-5H2,1H3,(H,16,17)(H,18,19)