2-[(2,6-dimethylphenyl)-(2-ethanoylsulfanylethanoyl)amino]propanoic acid

Systemtic Name: 2-[(2,6-dimethylphenyl)-(2-ethanoylsulfanylethanoyl)amino]propanoic acid Openeye Name: 2-(N-(2-acetylsulfanylacetyl)-2,6-dimethyl-anilino)propanoic acid CAS Name: 2-(N-[2-(acetylthio)-1-oxoethyl]-2,6-dimethylanilino)propanoic acid IUPAC Name: 2-(N-(2-acetylsulfanylacetyl)-2,6-dimethylanilino)propanoic acid Traditional Name: 2-(N-[2-(acetylthio)acetyl]-2,6-dimethyl-anilino)propionic acid Formula: C15H19NO4S MolecularWeight: 309.38066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(C(C)C(=O)O)C(=O)CSC(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(C(C)C(=O)O)C(=O)CSC(=O)C

InChI

InChI=1S/C15H19NO4S/c1-9-6-5-7-10(2)14(9)16(11(3)15(19)20)13(18)8-21-12(4)17/h5-7,11H,8H2,1-4H3,(H,19,20)