2-(3-methylsulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-(3-methylsulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[2-hydroxy-1-(methylsulfanylmethyl)-2-oxo-ethyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[1-hydroxy-3-(methylthio)-1-oxopropan-2-yl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-(1-hydroxy-3-methylsulfanyl-1-oxopropan-2-yl)-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[2-hydroxy-2-keto-1-[(methylthio)methyl]ethyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C13H11NO6S MolecularWeight: 309.29454

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)O)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O

Isomeric SMILES

CSCC(C(=O)O)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O

InChI

InChI=1S/C13H11NO6S/c1-21-5-9(13(19)20)14-10(15)7-3-2-6(12(17)18)4-8(7)11(14)16/h2-4,9H,5H2,1H3,(H,17,18)(H,19,20)