2-(6-azanyl-3-oxidanylidene-1,2-benzothiazol-2-yl)pentanedioic acid

Systemtic Name: 2-(6-azanyl-3-oxidanylidene-1,2-benzothiazol-2-yl)pentanedioic acid Openeye Name: 2-(6-amino-3-oxo-1,2-benzothiazol-2-yl)pentanedioic acid CAS Name: 2-(6-amino-3-oxo-1,2-benzothiazol-2-yl)pentanedioic acid IUPAC Name: 2-(6-amino-3-oxo-1,2-benzothiazol-2-yl)pentanedioic acid Traditional Name: 2-(6-amino-3-keto-1,2-benzothiazol-2-yl)glutaric acid Formula: C12H12N2O5S MolecularWeight: 296.29908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)SN(C2=O)C(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1N)SN(C2=O)C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C12H12N2O5S/c13-6-1-2-7-9(5-6)20-14(11(7)17)8(12(18)19)3-4-10(15)16/h1-2,5,8H,3-4,13H2,(H,15,16)(H,18,19)