O-ethyl [4-acetamido-1-cyano-5,5,5-tris(fluoranyl)pentan-2-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [4-acetamido-1-cyano-5,5,5-tris(fluoranyl)pentan-2-yl]sulfanylmethanethioate Openeye Name: O-ethyl [3-acetamido-1-(cyanomethyl)-4,4,4-trifluoro-butyl]sulfanylmethanethioate CAS Name: [(4-acetamido-1-cyano-5,5,5-trifluoropentan-2-yl)thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl (4-acetamido-1-cyano-5,5,5-trifluoropentan-2-yl)sulfanylmethanethioate Traditional Name: [[3-acetamido-1-(cyanomethyl)-4,4,4-trifluoro-butyl]thio]methanethioic acid O-ethyl ester Formula: C11H15F3N2O2S2 MolecularWeight: 328.37421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CC#N)CC(C(F)(F)F)NC(=O)C

Isomeric SMILES

CCOC(=S)SC(CC#N)CC(C(F)(F)F)NC(=O)C

InChI

InChI=1S/C11H15F3N2O2S2/c1-3-18-10(19)20-8(4-5-15)6-9(11(12,13)14)16-7(2)17/h8-9H,3-4,6H2,1-2H3,(H,16,17)