2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]ethanoic acid Openeye Name: 2-[2-(1,3-dioxoisoindolin-2-yl)propylsulfanyl]acetic acid CAS Name: 2-[2-(1,3-dioxo-2-isoindolyl)propylthio]acetic acid IUPAC Name: 2-[2-(1,3-dioxoisoindol-2-yl)propylsulfanyl]acetic acid Traditional Name: 2-(2-phthalimidopropylthio)acetic acid Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC(=O)O)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CC(CSCC(=O)O)N1C(=O)C2=CC=CC=C2C1=O

InChI

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