3-methyl-4-oxidanylidene-4-(2-oxidanylidene-3H-1,3-benzothiazol-5-yl)butanoic acid

Systemtic Name: 3-methyl-4-oxidanylidene-4-(2-oxidanylidene-3H-1,3-benzothiazol-5-yl)butanoic acid Openeye Name: 3-methyl-4-oxo-4-(2-oxo-3H-1,3-benzothiazol-5-yl)butanoic acid CAS Name: 3-methyl-4-oxo-4-(2-oxo-3H-1,3-benzothiazol-5-yl)butanoic acid IUPAC Name: 3-methyl-4-oxo-4-(2-oxo-3H-1,3-benzothiazol-5-yl)butanoic acid Traditional Name: 4-keto-4-(2-keto-3H-1,3-benzothiazol-5-yl)-3-methyl-butyric acid Formula: C12H11NO4S MolecularWeight: 265.28504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(=O)C1=CC2=C(C=C1)SC(=O)N2

Isomeric SMILES

CC(CC(=O)O)C(=O)C1=CC2=C(C=C1)SC(=O)N2

InChI

InChI=1S/C12H11NO4S/c1-6(4-10(14)15)11(16)7-2-3-9-8(5-7)13-12(17)18-9/h2-3,5-6H,4H2,1H3,(H,13,17)(H,14,15)