2-[2-(4-methylphenyl)sulfanylethanoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[2-(4-methylphenyl)sulfanylethanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[2-(p-tolylsulfanyl)acetyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[2-(p-tolylthio)acetyl]amino]propionic acid Formula: C12H15NO4S MolecularWeight: 269.3168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC(CO)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC(CO)C(=O)O

InChI

InChI=1S/C12H15NO4S/c1-8-2-4-9(5-3-8)18-7-11(15)13-10(6-14)12(16)17/h2-5,10,14H,6-7H2,1H3,(H,13,15)(H,16,17)