2-[(2R)-6-ethylsulfonyl-4-(2-oxidanidyl-2-oxidanylidene-ethyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[(2R)-6-ethylsulfonyl-4-(2-oxidanidyl-2-oxidanylidene-ethyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2R)-6-ethylsulfonyl-4-(2-oxido-2-oxo-ethyl)-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2R)-6-ethylsulfonyl-4-(2-oxido-2-oxoethyl)-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2R)-6-ethylsulfonyl-4-(2-oxido-2-oxoethyl)-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2R)-6-esyl-3-keto-4-(2-keto-2-oxido-ethyl)-1,4-benzoxazin-2-yl]acetate Formula: C14H13NO8S-2 MolecularWeight: 355.31992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C14H15NO8S/c1-2-24(21,22)8-3-4-10-9(5-8)15(7-13(18)19)14(20)11(23-10)6-12(16)17/h3-5,11H,2,6-7H2,1H3,(H,16,17)(H,18,19)/p-2/t11-/m1/s1