O-ethyl [2-acetamido-1,1,1-tris(fluoranyl)-7-oxidanylidene-octan-4-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [2-acetamido-1,1,1-tris(fluoranyl)-7-oxidanylidene-octan-4-yl]sulfanylmethanethioate Openeye Name: O-ethyl [1-(2-acetamido-3,3,3-trifluoro-propyl)-4-oxo-pentyl]sulfanylmethanethioate CAS Name: [(2-acetamido-1,1,1-trifluoro-7-oxooctan-4-yl)thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl (2-acetamido-1,1,1-trifluoro-7-oxooctan-4-yl)sulfanylmethanethioate Traditional Name: [[1-(2-acetamido-3,3,3-trifluoro-propyl)-4-keto-pentyl]thio]methanethioic acid O-ethyl ester Formula: C13H20F3NO3S2 MolecularWeight: 359.42801

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCC(=O)C)CC(C(F)(F)F)NC(=O)C

Isomeric SMILES

CCOC(=S)SC(CCC(=O)C)CC(C(F)(F)F)NC(=O)C

InChI

InChI=1S/C13H20F3NO3S2/c1-4-20-12(21)22-10(6-5-8(2)18)7-11(13(14,15)16)17-9(3)19/h10-11H,4-7H2,1-3H3,(H,17,19)