2-(3-azanyl-3-oxidanylidene-propyl)-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboxylic acid

Systemtic Name: 2-(3-azanyl-3-oxidanylidene-propyl)-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboxylic acid Openeye Name: 2-(3-amino-3-oxo-propyl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid CAS Name: 2-(3-amino-3-oxopropyl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid IUPAC Name: 2-(3-amino-3-oxopropyl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid Traditional Name: 2-(3-amino-3-keto-propyl)-1,1,3-triketo-1,2-benzothiazole-6-carboxylic acid Formula: C11H10N2O6S MolecularWeight: 298.2719

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)S(=O)(=O)N(C2=O)CCC(=O)N

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)S(=O)(=O)N(C2=O)CCC(=O)N

InChI

InChI=1S/C11H10N2O6S/c12-9(14)3-4-13-10(15)7-2-1-6(11(16)17)5-8(7)20(13,18)19/h1-2,5H,3-4H2,(H2,12,14)(H,16,17)