(5-ethanoyl-2-ethoxy-phenyl)methyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl (2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-phthalimido-butyric acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)[C@H](CCSC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C24H25NO6S/c1-4-30-21-10-9-16(15(2)26)13-17(21)14-31-24(29)20(11-12-32-3)25-22(27)18-7-5-6-8-19(18)23(25)28/h5-10,13,20H,4,11-12,14H2,1-3H3/t20-/m0/s1