[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-[(3-tert-butylisoxazol-5-yl)amino]-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-[(3-tert-butyl-5-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-[(3-tert-butylisoxazol-5-yl)amino]-2-keto-ethyl] ester Formula: C16H21N3O6S2 MolecularWeight: 415.48444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C16H21N3O6S2/c1-16(2,3)11-9-13(25-19-11)18-12(20)10-24-14(21)6-7-17-27(22,23)15-5-4-8-26-15/h4-5,8-9,17H,6-7,10H2,1-3H3,(H,18,20)