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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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