(2-sulfanylidenepyridin-1-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (2-sulfanylidenepyridin-1-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (2-thioxo-1-pyridyl) 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid (2-thioxo-1-pyridyl) ester Formula: C13H18N2O4S MolecularWeight: 298.35802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)ON1C=CC=CC1=S

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)ON1C=CC=CC1=S

InChI

InChI=1S/C13H18N2O4S/c1-13(2,3)18-12(17)14-8-7-11(16)19-15-9-5-4-6-10(15)20/h4-6,9H,7-8H2,1-3H3,(H,14,17)