3-(6-ethylsulfonyl-2-oxidanylidene-1,4-benzoxazin-3-yl)propanoic acid

Systemtic Name: 3-(6-ethylsulfonyl-2-oxidanylidene-1,4-benzoxazin-3-yl)propanoic acid Openeye Name: 3-(6-ethylsulfonyl-2-oxo-1,4-benzoxazin-3-yl)propanoic acid CAS Name: 3-(6-ethylsulfonyl-2-oxo-1,4-benzoxazin-3-yl)propanoic acid IUPAC Name: 3-(6-ethylsulfonyl-2-oxo-1,4-benzoxazin-3-yl)propanoic acid Traditional Name: 3-(6-esyl-2-keto-1,4-benzoxazin-3-yl)propionic acid Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=O)C(=N2)CCC(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=O)C(=N2)CCC(=O)O

InChI

InChI=1S/C13H13NO6S/c1-2-21(18,19)8-3-5-11-10(7-8)14-9(13(17)20-11)4-6-12(15)16/h3,5,7H,2,4,6H2,1H3,(H,15,16)