S-(2-cyanoethyl) 3-(2-oxidanylideneazetidin-1-yl)-2-(prop-2-enoxycarbonylamino)propanethioate

Systemtic Name: S-(2-cyanoethyl) 3-(2-oxidanylideneazetidin-1-yl)-2-(prop-2-enoxycarbonylamino)propanethioate Openeye Name: S-(2-cyanoethyl) 2-(allyloxycarbonylamino)-3-(2-oxoazetidin-1-yl)propanethioate CAS Name: 3-(2-oxo-1-azetidinyl)-2-[[oxo(prop-2-enoxy)methyl]amino]propanethioic acid S-(2-cyanoethyl) ester IUPAC Name: S-(2-cyanoethyl) 3-(2-oxoazetidin-1-yl)-2-(prop-2-enoxycarbonylamino)propanethioate Traditional Name: 2-(allyloxycarbonylamino)-3-(2-ketoazetidin-1-yl)propanethioic acid S-(2-cyanoethyl) ester Formula: C13H17N3O4S MolecularWeight: 311.35678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)NC(CN1CCC1=O)C(=O)SCCC#N

Isomeric SMILES

C=CCOC(=O)NC(CN1CCC1=O)C(=O)SCCC#N

InChI

InChI=1S/C13H17N3O4S/c1-2-7-20-13(19)15-10(9-16-6-4-11(16)17)12(18)21-8-3-5-14/h2,10H,1,3-4,6-9H2,(H,15,19)