2-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[4-(methylsulfanylmethyl)benzoyl]amino]propanoic acid CAS Name: 2-[[[4-[(methylthio)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[4-(methylsulfanylmethyl)benzoyl]amino]propanoic acid Traditional Name: 2-[[4-[(methylthio)methyl]benzoyl]amino]propionic acid Formula: C12H15NO3S MolecularWeight: 253.3174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=CC=C(C=C1)CSC

Isomeric SMILES

CC(C(=O)O)NC(=O)C1=CC=C(C=C1)CSC

InChI

InChI=1S/C12H15NO3S/c1-8(12(15)16)13-11(14)10-5-3-9(4-6-10)7-17-2/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)