3-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl]propanoic acid

Systemtic Name: 3-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl]propanoic acid Openeye Name: 3-[4-(1,3-dioxoisoindolin-2-yl)butylsulfanyl]propanoic acid CAS Name: 3-[4-(1,3-dioxo-2-isoindolyl)butylthio]propanoic acid IUPAC Name: 3-[4-(1,3-dioxoisoindol-2-yl)butylsulfanyl]propanoic acid Traditional Name: 3-(4-phthalimidobutylthio)propionic acid Formula: C15H17NO4S MolecularWeight: 307.36478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO4S/c17-13(18)7-10-21-9-4-3-8-16-14(19)11-5-1-2-6-12(11)15(16)20/h1-2,5-6H,3-4,7-10H2,(H,17,18)