2-[(2S)-3-methylsulfanyl-1-oxidanidyl-1-oxidanylidene-propan-2-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-[(2S)-3-methylsulfanyl-1-oxidanidyl-1-oxidanylidene-propan-2-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-[(1S)-1-(methylsulfanylmethyl)-2-oxido-2-oxo-ethyl]-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[(2S)-3-(methylthio)-1-oxido-1-oxopropan-2-yl]-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-[(2S)-3-methylsulfanyl-1-oxido-1-oxopropan-2-yl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-[(1S)-2-keto-1-[(methylthio)methyl]-2-oxido-ethyl]isoindoline-5-carboxylate Formula: C13H9NO6S-2 MolecularWeight: 307.27866

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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

CSC[C@H](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)/p-2/t9-/m1/s1