2-azanyl-3-(5-tert-butyl-3-oxidanylidene-1,2-thiazol-4-yl)propanoic acid

Systemtic Name: 2-azanyl-3-(5-tert-butyl-3-oxidanylidene-1,2-thiazol-4-yl)propanoic acid Openeye Name: 2-amino-3-(5-tert-butyl-3-oxo-isothiazol-4-yl)propanoic acid CAS Name: 2-amino-3-(5-tert-butyl-3-oxo-4-isothiazolyl)propanoic acid IUPAC Name: 2-amino-3-(5-tert-butyl-3-oxo-1,2-thiazol-4-yl)propanoic acid Traditional Name: 2-amino-3-(5-tert-butyl-3-keto-4-isothiazolin-4-yl)propionic acid Formula: C10H16N2O3S MolecularWeight: 244.31064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=O)NS1)CC(C(=O)O)N

Isomeric SMILES

CC(C)(C)C1=C(C(=O)NS1)CC(C(=O)O)N

InChI

InChI=1S/C10H16N2O3S/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)