2-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(2-methylsulfanylethyl)propanedioic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(2-methylsulfanylethyl)propanedioic acid Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-2-(2-methylsulfanylethyl)propanedioic acid CAS Name: 2-(1,3-dioxo-2-isoindolyl)-2-[2-(methylthio)ethyl]propanedioic acid IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-2-(2-methylsulfanylethyl)propanedioic acid Traditional Name: 2-[2-(methylthio)ethyl]-2-phthalimido-malonic acid Formula: C14H13NO6S MolecularWeight: 323.32112

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CSCCC(C(=O)O)(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C14H13NO6S/c1-22-7-6-14(12(18)19,13(20)21)15-10(16)8-4-2-3-5-9(8)11(15)17/h2-5H,6-7H2,1H3,(H,18,19)(H,20,21)