2-(2-phenethylsulfanylethanoylamino)ethanoic acid

Systemtic Name: 2-(2-phenethylsulfanylethanoylamino)ethanoic acid Openeye Name: 2-[(2-phenethylsulfanylacetyl)amino]acetic acid CAS Name: 2-[[1-oxo-2-(phenethylthio)ethyl]amino]acetic acid IUPAC Name: 2-[(2-phenethylsulfanylacetyl)amino]acetic acid Traditional Name: 2-[[2-(phenethylthio)acetyl]amino]acetic acid Formula: C12H15NO3S MolecularWeight: 253.3174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S/c14-11(13-8-12(15)16)9-17-7-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14)(H,15,16)