ethanoyl fluoride; methyl 2-azanyl-3-[2-(dimethylcarbamoylamino)-1,3-thiazol-4-yl]propanoate

Systemtic Name: ethanoyl fluoride; methyl 2-azanyl-3-[2-(dimethylcarbamoylamino)-1,3-thiazol-4-yl]propanoate Openeye Name: acetyl fluoride; methyl 2-amino-3-[2-(dimethylcarbamoylamino)thiazol-4-yl]propanoate CAS Name: acetyl fluoride; 2-amino-3-[2-[[dimethylamino(oxo)methyl]amino]-4-thiazolyl]propanoic acid methyl ester IUPAC Name: acetyl fluoride; methyl 2-amino-3-[2-(dimethylcarbamoylamino)-1,3-thiazol-4-yl]propanoate Traditional Name: acetyl fluoride; 2-amino-3-[2-(dimethylcarbamoylamino)thiazol-4-yl]propionic acid methyl ester Formula: C16H25F3N4O6S MolecularWeight: 458.45311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.CN(C)C(=O)NC1=NC(=CS1)CC(C(=O)OC)N

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.CN(C)C(=O)NC1=NC(=CS1)CC(C(=O)OC)N

InChI

InChI=1S/C10H16N4O3S.3C2H3FO/c1-14(2)10(16)13-9-12-6(5-18-9)4-7(11)8(15)17-3;3*1-2(3)4/h5,7H,4,11H2,1-3H3,(H,12,13,16);3*1H3