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

Systemtic Name: 5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(phenylcarbonylsulfanyl)pentanoic acid Openeye Name: 2-benzoylsulfanyl-5-(1,3-dioxoisoindolin-2-yl)pentanoic acid CAS Name: 2-(benzoylthio)-5-(1,3-dioxo-2-isoindolyl)pentanoic acid IUPAC Name: 2-benzoylsulfanyl-5-(1,3-dioxoisoindol-2-yl)pentanoic acid Traditional Name: 2-(benzoylthio)-5-phthalimido-valeric acid Formula: C20H17NO5S MolecularWeight: 383.41768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SC(CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SC(CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)O

InChI

InChI=1S/C20H17NO5S/c22-17-14-9-4-5-10-15(14)18(23)21(17)12-6-11-16(19(24)25)27-20(26)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H,24,25)