(2,6-dimethylphenyl) (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate

Systemtic Name: (2,6-dimethylphenyl) (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: (2,6-dimethylphenyl) (2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-phthalimido-butyric acid (2,6-dimethylphenyl) ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4S/c1-13-7-6-8-14(2)18(13)26-21(25)17(11-12-27-3)22-19(23)15-9-4-5-10-16(15)20(22)24/h4-10,17H,11-12H2,1-3H3/t17-/m0/s1