2-[(2-methylsulfanylphenyl)carbonylamino]butanoic acid

Systemtic Name: 2-[(2-methylsulfanylphenyl)carbonylamino]butanoic acid Openeye Name: 2-[(2-methylsulfanylbenzoyl)amino]butanoic acid CAS Name: 2-[[[2-(methylthio)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 2-[(2-methylsulfanylbenzoyl)amino]butanoic acid Traditional Name: 2-[[2-(methylthio)benzoyl]amino]butyric acid Formula: C12H15NO3S MolecularWeight: 253.3174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C1=CC=CC=C1SC

Isomeric SMILES

CCC(C(=O)O)NC(=O)C1=CC=CC=C1SC

InChI

InChI=1S/C12H15NO3S/c1-3-9(12(15)16)13-11(14)8-6-4-5-7-10(8)17-2/h4-7,9H,3H2,1-2H3,(H,13,14)(H,15,16)