3-[4-azanyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoic acid

Systemtic Name: 3-[4-azanyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoic acid Openeye Name: 3-(4-amino-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid CAS Name: 3-(4-amino-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid IUPAC Name: 3-(4-amino-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid Traditional Name: 3-(4-amino-1,1,3-triketo-1,2-benzothiazol-2-yl)propionic acid Formula: C10H10N2O5S MolecularWeight: 270.2618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)S(=O)(=O)N(C2=O)CCC(=O)O)N

Isomeric SMILES

C1=CC(=C2C(=C1)S(=O)(=O)N(C2=O)CCC(=O)O)N

InChI

InChI=1S/C10H10N2O5S/c11-6-2-1-3-7-9(6)10(15)12(18(7,16)17)5-4-8(13)14/h1-3H,4-5,11H2,(H,13,14)