2-[(2R)-4-methylsulfanyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-[(2R)-4-methylsulfanyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-[(1R)-1-carboxylato-3-methylsulfanyl-propyl]-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[(2R)-4-(methylthio)-1-oxido-1-oxobutan-2-yl]-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-[(2R)-4-methylsulfanyl-1-oxido-1-oxobutan-2-yl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-[(1R)-1-carboxylato-3-(methylthio)propyl]-1,3-diketo-isoindoline-5-carboxylate Formula: C14H11NO6S-2 MolecularWeight: 321.30524

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)[O-]

Isomeric SMILES

CSCC[C@H](C(=O)[O-])N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H13NO6S/c1-22-5-4-10(14(20)21)15-11(16)8-3-2-7(13(18)19)6-9(8)12(15)17/h2-3,6,10H,4-5H2,1H3,(H,18,19)(H,20,21)/p-2/t10-/m1/s1