3-[(2-ethyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonylamino]propanoic acid

Systemtic Name: 3-[(2-ethyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonylamino]propanoic acid Openeye Name: 3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]propanoic acid CAS Name: 3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]propanoic acid IUPAC Name: 3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]propanoic acid Traditional Name: 3-[(2-ethyl-3-keto-4H-1,4-benzothiazin-6-yl)sulfonylamino]propionic acid Formula: C13H16N2O5S2 MolecularWeight: 344.40654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

CCC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C13H16N2O5S2/c1-2-10-13(18)15-9-7-8(3-4-11(9)21-10)22(19,20)14-6-5-12(16)17/h3-4,7,10,14H,2,5-6H2,1H3,(H,15,18)(H,16,17)