2-[2-[(2-methylsulfanylphenyl)carbonylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[(2-methylsulfanylphenyl)carbonylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[(2-methylsulfanylbenzoyl)amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[[2-(methylthio)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[(2-methylsulfanylbenzoyl)amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[2-(methylthio)benzoyl]amino]acetyl]amino]acetic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C12H14N2O4S/c1-19-9-5-3-2-4-8(9)12(18)14-6-10(15)13-7-11(16)17/h2-5H,6-7H2,1H3,(H,13,15)(H,14,18)(H,16,17)