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

Systemtic Name: 2-(3-oxidanylidene-1,2-benzothiazol-2-yl)butanoic acid Openeye Name: 2-(3-oxo-1,2-benzothiazol-2-yl)butanoic acid CAS Name: 2-(3-oxo-1,2-benzothiazol-2-yl)butanoic acid IUPAC Name: 2-(3-oxo-1,2-benzothiazol-2-yl)butanoic acid Traditional Name: 2-(3-keto-1,2-benzothiazol-2-yl)butyric acid Formula: C11H11NO3S MolecularWeight: 237.27494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C(=O)C2=CC=CC=C2S1

Isomeric SMILES

CCC(C(=O)O)N1C(=O)C2=CC=CC=C2S1

InChI

InChI=1S/C11H11NO3S/c1-2-8(11(14)15)12-10(13)7-5-3-4-6-9(7)16-12/h3-6,8H,2H2,1H3,(H,14,15)