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

Systemtic Name: 5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-tert-butylsulfanyl-pentanoic acid Openeye Name: 2-tert-butylsulfanyl-5-(1,3-dioxoisoindolin-2-yl)pentanoic acid CAS Name: 2-(tert-butylthio)-5-(1,3-dioxo-2-isoindolyl)pentanoic acid IUPAC Name: 2-tert-butylsulfanyl-5-(1,3-dioxoisoindol-2-yl)pentanoic acid Traditional Name: 2-(tert-butylthio)-5-phthalimido-valeric acid Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)O

Isomeric SMILES

CC(C)(C)SC(CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)O

InChI

InChI=1S/C17H21NO4S/c1-17(2,3)23-13(16(21)22)9-6-10-18-14(19)11-7-4-5-8-12(11)15(18)20/h4-5,7-8,13H,6,9-10H2,1-3H3,(H,21,22)