2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[3-(methylsulfanylmethyl)benzoyl]amino]acetic acid CAS Name: 2-[[[3-[(methylthio)methyl]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-(methylsulfanylmethyl)benzoyl]amino]acetic acid Traditional Name: 2-[[3-[(methylthio)methyl]benzoyl]amino]acetic acid Formula: C11H13NO3S MolecularWeight: 239.29082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)NCC(=O)O

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)NCC(=O)O

InChI

InChI=1S/C11H13NO3S/c1-16-7-8-3-2-4-9(5-8)11(15)12-6-10(13)14/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)