(2S)-6-ethylsulfonyl-2-methyl-3-oxidanylidene-4H-1,4-benzoxazine-2-carboxylate

Systemtic Name: (2S)-6-ethylsulfonyl-2-methyl-3-oxidanylidene-4H-1,4-benzoxazine-2-carboxylate Openeye Name: (2S)-6-ethylsulfonyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-6-ethylsulfonyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate IUPAC Name: (2S)-6-ethylsulfonyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-6-esyl-3-keto-2-methyl-4H-1,4-benzoxazine-2-carboxylate Formula: C12H12NO6S- MolecularWeight: 298.29178

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(C(=O)N2)(C)C(=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)O[C@](C(=O)N2)(C)C(=O)[O-]

InChI

InChI=1S/C12H13NO6S/c1-3-20(17,18)7-4-5-9-8(6-7)13-10(14)12(2,19-9)11(15)16/h4-6H,3H2,1-2H3,(H,13,14)(H,15,16)/p-1/t12-/m0/s1