3-[2-ethyl-4-oxidanyl-1,1-bis(oxidanylidene)-1$l^{6},2-benzothiazin-3-yl]propanoic acid

Systemtic Name: 3-[2-ethyl-4-oxidanyl-1,1-bis(oxidanylidene)-1$l^{6},2-benzothiazin-3-yl]propanoic acid Openeye Name: 3-(2-ethyl-4-hydroxy-1,1-dioxo-1$l^{6},2-benzothiazin-3-yl)propanoic acid CAS Name: 3-(2-ethyl-4-hydroxy-1,1-dioxo-1$l^{6},2-benzothiazin-3-yl)propanoic acid IUPAC Name: 3-(2-ethyl-4-hydroxy-1,1-dioxo-1$l^{6},2-benzothiazin-3-yl)propanoic acid Traditional Name: 3-(2-ethyl-4-hydroxy-1,1-diketo-1$l^{6},2-benzothiazin-3-yl)propionic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC=CC=C2S1(=O)=O)O)CCC(=O)O

Isomeric SMILES

CCN1C(=C(C2=CC=CC=C2S1(=O)=O)O)CCC(=O)O

InChI

InChI=1S/C13H15NO5S/c1-2-14-10(7-8-12(15)16)13(17)9-5-3-4-6-11(9)20(14,18)19/h3-6,17H,2,7-8H2,1H3,(H,15,16)