5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-sulfanyl-pentanoic acid

Systemtic Name: 5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-sulfanyl-pentanoic acid Openeye Name: 5-(1,3-dioxoisoindolin-2-yl)-2-sulfanyl-pentanoic acid CAS Name: 5-(1,3-dioxo-2-isoindolyl)-2-mercaptopentanoic acid IUPAC Name: 5-(1,3-dioxoisoindol-2-yl)-2-sulfanylpentanoic acid Traditional Name: 2-mercapto-5-phthalimido-valeric 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)CCCC(C(=O)O)S

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(C(=O)O)S

InChI

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