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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CC(C(=O)O)SCCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C13H13NO4S/c1-8(13(17)18)19-7-6-14-11(15)9-4-2-3-5-10(9)12(14)16/h2-5,8H,6-7H2,1H3,(H,17,18)