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

Systemtic Name: (3,4-dimethylphenyl) (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: (3,4-dimethylphenyl) (2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-phthalimido-butyric acid (3,4-dimethylphenyl) ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)[C@H](CCSC)N2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C21H21NO4S/c1-13-8-9-15(12-14(13)2)26-21(25)18(10-11-27-3)22-19(23)16-6-4-5-7-17(16)20(22)24/h4-9,12,18H,10-11H2,1-3H3/t18-/m0/s1