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

Systemtic Name: (4-propanoylphenyl) (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: (4-propanoylphenyl) (2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-phthalimido-butyric acid (4-propionylphenyl) ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5S/c1-3-19(24)14-8-10-15(11-9-14)28-22(27)18(12-13-29-2)23-20(25)16-6-4-5-7-17(16)21(23)26/h4-11,18H,3,12-13H2,1-2H3/t18-/m0/s1