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

Systemtic Name: O-ethyl [4-acetamido-1-diethoxyphosphoryl-5,5,5-tris(fluoranyl)pentan-2-yl]sulfanylmethanethioate Openeye Name: O-ethyl [3-acetamido-1-(diethoxyphosphorylmethyl)-4,4,4-trifluoro-butyl]sulfanylmethanethioate CAS Name: [(4-acetamido-1-diethoxyphosphoryl-5,5,5-trifluoropentan-2-yl)thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl (4-acetamido-1-diethoxyphosphoryl-5,5,5-trifluoropentan-2-yl)sulfanylmethanethioate Traditional Name: [[3-acetamido-1-(diethoxyphosphorylmethyl)-4,4,4-trifluoro-butyl]thio]methanethioic acid O-ethyl ester Formula: C14H25F3NO5PS2 MolecularWeight: 439.450971

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CC(C(F)(F)F)NC(=O)C)CP(=O)(OCC)OCC

Isomeric SMILES

CCOC(=S)SC(CC(C(F)(F)F)NC(=O)C)CP(=O)(OCC)OCC

InChI

InChI=1S/C14H25F3NO5PS2/c1-5-21-13(25)26-11(9-24(20,22-6-2)23-7-3)8-12(14(15,16)17)18-10(4)19/h11-12H,5-9H2,1-4H3,(H,18,19)