(2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoate IUPAC Name: (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-phthalimido-butyrate Formula: C13H12NO4S- MolecularWeight: 278.30368

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C13H13NO4S/c1-19-7-6-10(13(17)18)14-11(15)8-4-2-3-5-9(8)12(14)16/h2-5,10H,6-7H2,1H3,(H,17,18)/p-1/t10-/m0/s1