methyl 3-[(3S)-3-cyano-6-oxidanylidene-5-propan-2-yl-2H-1,4-oxazin-3-yl]propanoate

Systemtic Name: methyl 3-[(3S)-3-cyano-6-oxidanylidene-5-propan-2-yl-2H-1,4-oxazin-3-yl]propanoate Openeye Name: methyl 3-[(3S)-3-cyano-5-isopropyl-6-oxo-2H-1,4-oxazin-3-yl]propanoate CAS Name: 3-[(3S)-3-cyano-6-oxo-5-propan-2-yl-2H-1,4-oxazin-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S)-3-cyano-6-oxo-5-propan-2-yl-2H-1,4-oxazin-3-yl]propanoate Traditional Name: 3-[(3S)-3-cyano-5-isopropyl-6-keto-2H-1,4-oxazin-3-yl]propionic acid methyl ester Formula: C12H16N2O4 MolecularWeight: 252.26644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(COC1=O)(CCC(=O)OC)C#N

Isomeric SMILES

CC(C)C1=N[C@@](COC1=O)(CCC(=O)OC)C#N

InChI

InChI=1S/C12H16N2O4/c1-8(2)10-11(16)18-7-12(6-13,14-10)5-4-9(15)17-3/h8H,4-5,7H2,1-3H3/t12-/m0/s1