dimethyl (2S,4R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-pentanedioate

Systemtic Name: dimethyl (2S,4R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-pentanedioate Openeye Name: dimethyl (2S,4R)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-pentanedioate CAS Name: (2S,4R)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S,4R)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylpentanedioate Traditional Name: (2R,4S)-2-(methylthio)-4-phthalimido-glutaric acid dimethyl ester Formula: C16H17NO6S MolecularWeight: 351.37428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(C(=O)OC)SC)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

COC(=O)[C@H](C[C@H](C(=O)OC)SC)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C16H17NO6S/c1-22-15(20)11(8-12(24-3)16(21)23-2)17-13(18)9-6-4-5-7-10(9)14(17)19/h4-7,11-12H,8H2,1-3H3/t11-,12+/m0/s1