7-(2-azanylpropanoyl)-5-oxidanyl-2H-1,4-benzothiazine-3-carboxylic acid

Systemtic Name: 7-(2-azanylpropanoyl)-5-oxidanyl-2H-1,4-benzothiazine-3-carboxylic acid Openeye Name: 7-(2-aminopropanoyl)-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid CAS Name: 7-(2-amino-1-oxopropyl)-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid IUPAC Name: 7-(2-aminopropanoyl)-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid Traditional Name: 7-alanyl-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=C2C(=C1)SCC(=N2)C(=O)O)O)N

Isomeric SMILES

CC(C(=O)C1=CC(=C2C(=C1)SCC(=N2)C(=O)O)O)N

InChI

InChI=1S/C12H12N2O4S/c1-5(13)11(16)6-2-8(15)10-9(3-6)19-4-7(14-10)12(17)18/h2-3,5,15H,4,13H2,1H3,(H,17,18)