dimethyl 5-[[(2S)-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanoyl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[(2S)-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanoyl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(2S)-4-methylsulfanyl-2-(1-oxoisoindolin-2-yl)butanoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2S)-4-(methylthio)-1-oxo-2-(3-oxo-1H-isoindol-2-yl)butyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(2S)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(2S)-2-(1-ketoisoindolin-2-yl)-4-(methylthio)butanoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C(CCSC)N2CC3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)[C@H](CCSC)N2CC3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C23H24N2O6S/c1-30-22(28)15-10-16(23(29)31-2)12-17(11-15)24-20(26)19(8-9-32-3)25-13-14-6-4-5-7-18(14)21(25)27/h4-7,10-12,19H,8-9,13H2,1-3H3,(H,24,26)/t19-/m0/s1