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

Systemtic Name: 2-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[(2-methyl-5-methylsulfanyl-benzoyl)amino]propanoic acid CAS Name: 3-hydroxy-2-[[[2-methyl-5-(methylthio)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]propanoic acid Traditional Name: 3-hydroxy-2-[[2-methyl-5-(methylthio)benzoyl]amino]propionic acid Formula: C12H15NO4S MolecularWeight: 269.3168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)NC(CO)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C12H15NO4S/c1-7-3-4-8(18-2)5-9(7)11(15)13-10(6-14)12(16)17/h3-5,10,14H,6H2,1-2H3,(H,13,15)(H,16,17)