5-acetamido-2-[3-(methyldisulfanyl)propanoylamino]benzoic acid

Systemtic Name: 5-acetamido-2-[3-(methyldisulfanyl)propanoylamino]benzoic acid Openeye Name: 5-acetamido-2-[3-(methyldisulfanyl)propanoylamino]benzoic acid CAS Name: 5-acetamido-2-[[3-(methyldisulfanyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 5-acetamido-2-[3-(methyldisulfanyl)propanoylamino]benzoic acid Traditional Name: 5-acetamido-2-[3-(methyldisulfanyl)propanoylamino]benzoic acid Formula: C13H16N2O4S2 MolecularWeight: 328.40714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NC(=O)CCSSC)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NC(=O)CCSSC)C(=O)O

InChI

InChI=1S/C13H16N2O4S2/c1-8(16)14-9-3-4-11(10(7-9)13(18)19)15-12(17)5-6-21-20-2/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)