3-(5-acetamido-2-methyl-phenyl)sulfanylpropanoic acid

Systemtic Name: 3-(5-acetamido-2-methyl-phenyl)sulfanylpropanoic acid Openeye Name: 3-(5-acetamido-2-methyl-phenyl)sulfanylpropanoic acid CAS Name: 3-[(5-acetamido-2-methylphenyl)thio]propanoic acid IUPAC Name: 3-(5-acetamido-2-methylphenyl)sulfanylpropanoic acid Traditional Name: 3-[(5-acetamido-2-methyl-phenyl)thio]propionic acid Formula: C12H15NO3S MolecularWeight: 253.3174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C)SCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C)SCCC(=O)O

InChI

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