2-(2-acetamidoethylsulfanyl)-2-benzamido-ethanoic acid

Systemtic Name: 2-(2-acetamidoethylsulfanyl)-2-benzamido-ethanoic acid Openeye Name: 2-(2-acetamidoethylsulfanyl)-2-benzamido-acetic acid CAS Name: 2-(2-acetamidoethylthio)-2-benzamidoacetic acid IUPAC Name: 2-(2-acetamidoethylsulfanyl)-2-benzamidoacetic acid Traditional Name: 2-(2-acetamidoethylthio)-2-benzamido-acetic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC(C(=O)O)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(=O)NCCSC(C(=O)O)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H16N2O4S/c1-9(16)14-7-8-20-12(13(18)19)15-11(17)10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3,(H,14,16)(H,15,17)(H,18,19)