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

Systemtic Name: dimethyl (2S,4R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-pyrimidin-2-ylsulfanyl-pentanedioate Openeye Name: dimethyl (2S,4R)-2-(1,3-dioxoisoindolin-2-yl)-4-pyrimidin-2-ylsulfanyl-pentanedioate CAS Name: (2S,4R)-2-(1,3-dioxo-2-isoindolyl)-4-(2-pyrimidinylthio)pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S,4R)-2-(1,3-dioxoisoindol-2-yl)-4-pyrimidin-2-ylsulfanylpentanedioate Traditional Name: (2S,4R)-2-phthalimido-4-(2-pyrimidylthio)glutaric acid dimethyl ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O6S/c1-27-17(25)13(22-15(23)11-6-3-4-7-12(11)16(22)24)10-14(18(26)28-2)29-19-20-8-5-9-21-19/h3-9,13-14H,10H2,1-2H3/t13-,14+/m0/s1