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

Systemtic Name: (4-ethanoylphenyl) (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: (4-acetylphenyl) (2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-phthalimido-butyric acid (4-acetylphenyl) ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)[C@H](CCSC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H19NO5S/c1-13(23)14-7-9-15(10-8-14)27-21(26)18(11-12-28-2)22-19(24)16-5-3-4-6-17(16)20(22)25/h3-10,18H,11-12H2,1-2H3/t18-/m0/s1