(2S)-6-ethylsulfonyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: (2S)-6-ethylsulfonyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: (2S)-6-ethylsulfonyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-6-ethylsulfonyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate IUPAC Name: (2S)-6-ethylsulfonyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-6-esyl-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Formula: C12H14NO7S2- MolecularWeight: 348.37206

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)O[C@@H](CN2S(=O)(=O)C)C(=O)[O-]

InChI

InChI=1S/C12H15NO7S2/c1-3-22(18,19)8-4-5-10-9(6-8)13(21(2,16)17)7-11(20-10)12(14)15/h4-6,11H,3,7H2,1-2H3,(H,14,15)/p-1/t11-/m0/s1