4-oxidanylidene-4-(2-oxidanylidene-3H-1,3-benzothiazol-6-yl)butanoic acid

Systemtic Name: 4-oxidanylidene-4-(2-oxidanylidene-3H-1,3-benzothiazol-6-yl)butanoic acid Openeye Name: 4-oxo-4-(2-oxo-3H-1,3-benzothiazol-6-yl)butanoic acid CAS Name: 4-oxo-4-(2-oxo-3H-1,3-benzothiazol-6-yl)butanoic acid IUPAC Name: 4-oxo-4-(2-oxo-3H-1,3-benzothiazol-6-yl)butanoic acid Traditional Name: 4-keto-4-(2-keto-3H-1,3-benzothiazol-6-yl)butyric acid Formula: C11H9NO4S MolecularWeight: 251.25846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)CCC(=O)O)SC(=O)N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)CCC(=O)O)SC(=O)N2

InChI

InChI=1S/C11H9NO4S/c13-8(3-4-10(14)15)6-1-2-7-9(5-6)17-11(16)12-7/h1-2,5H,3-4H2,(H,12,16)(H,14,15)