(2S)-4-methylsulfonyl-6-(2-oxidanidyl-2-oxidanylidene-ethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: (2S)-4-methylsulfonyl-6-(2-oxidanidyl-2-oxidanylidene-ethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: (2S)-4-methylsulfonyl-6-(2-oxido-2-oxo-ethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-methylsulfonyl-6-(2-oxido-2-oxoethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate IUPAC Name: (2S)-4-methylsulfonyl-6-(2-oxido-2-oxoethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-6-(2-keto-2-oxido-ethyl)-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Formula: C12H11NO7S-2 MolecularWeight: 313.28324

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1C[C@H](OC2=C1C=C(C=C2)CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H13NO7S/c1-21(18,19)13-6-10(12(16)17)20-9-3-2-7(4-8(9)13)5-11(14)15/h2-4,10H,5-6H2,1H3,(H,14,15)(H,16,17)/p-2/t10-/m0/s1