2-[(2S)-4-ethyl-6-ethylsulfonyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-4-ethyl-6-ethylsulfonyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-ethyl-6-ethylsulfonyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-4-ethyl-6-ethylsulfonyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-4-ethyl-6-ethylsulfonyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-6-esyl-4-ethyl-3-keto-1,4-benzoxazin-2-yl]acetic acid Formula: C14H17NO6S MolecularWeight: 327.35288

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)S(=O)(=O)CC)OC(C1=O)CC(=O)O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)S(=O)(=O)CC)O[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C14H17NO6S/c1-3-15-10-7-9(22(19,20)4-2)5-6-11(10)21-12(14(15)18)8-13(16)17/h5-7,12H,3-4,8H2,1-2H3,(H,16,17)/t12-/m0/s1