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

Systemtic Name: dimethyl (2S,4R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-pyridin-2-ylsulfanyl-pentanedioate Openeye Name: dimethyl (2S,4R)-2-(1,3-dioxoisoindolin-2-yl)-4-(2-pyridylsulfanyl)pentanedioate CAS Name: (2S,4R)-2-(1,3-dioxo-2-isoindolyl)-4-(2-pyridinylthio)pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S,4R)-2-(1,3-dioxoisoindol-2-yl)-4-pyridin-2-ylsulfanylpentanedioate Traditional Name: (2S,4R)-2-phthalimido-4-(2-pyridylthio)glutaric acid dimethyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(C(=O)OC)SC1=CC=CC=N1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)[C@H](C[C@H](C(=O)OC)SC1=CC=CC=N1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H18N2O6S/c1-27-19(25)14(22-17(23)12-7-3-4-8-13(12)18(22)24)11-15(20(26)28-2)29-16-9-5-6-10-21-16/h3-10,14-15H,11H2,1-2H3/t14-,15+/m0/s1