2-azanyl-3-(2,2-dimethyl-5-oxidanyl-3-oxidanylidene-4H-1,4-benzothiazin-7-yl)propanoic acid

Systemtic Name: 2-azanyl-3-(2,2-dimethyl-5-oxidanyl-3-oxidanylidene-4H-1,4-benzothiazin-7-yl)propanoic acid Openeye Name: 2-amino-3-(5-hydroxy-2,2-dimethyl-3-oxo-4H-1,4-benzothiazin-7-yl)propanoic acid CAS Name: 2-amino-3-(5-hydroxy-2,2-dimethyl-3-oxo-4H-1,4-benzothiazin-7-yl)propanoic acid IUPAC Name: 2-amino-3-(5-hydroxy-2,2-dimethyl-3-oxo-4H-1,4-benzothiazin-7-yl)propanoic acid Traditional Name: 2-amino-3-(5-hydroxy-3-keto-2,2-dimethyl-4H-1,4-benzothiazin-7-yl)propionic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=C(C=C(C=C2S1)CC(C(=O)O)N)O)C

Isomeric SMILES

CC1(C(=O)NC2=C(C=C(C=C2S1)CC(C(=O)O)N)O)C

InChI

InChI=1S/C13H16N2O4S/c1-13(2)12(19)15-10-8(16)4-6(5-9(10)20-13)3-7(14)11(17)18/h4-5,7,16H,3,14H2,1-2H3,(H,15,19)(H,17,18)