3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]propanoic acid

Systemtic Name: 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]propanoic acid Openeye Name: 3-[2-(1,3-dioxoisoindolin-2-yl)ethylsulfanyl]propanoic acid CAS Name: 3-[2-(1,3-dioxo-2-isoindolyl)ethylthio]propanoic acid IUPAC Name: 3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]propanoic acid Traditional Name: 3-(2-phthalimidoethylthio)propionic acid Formula: C13H13NO4S MolecularWeight: 279.31162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSCCC(=O)O

InChI

InChI=1S/C13H13NO4S/c15-11(16)5-7-19-8-6-14-12(17)9-3-1-2-4-10(9)13(14)18/h1-4H,5-8H2,(H,15,16)