(E)-2-cyano-3-[[diethoxyphosphoryl-(2-fluorophenyl)methyl]amino]-3-methylsulfanyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[[diethoxyphosphoryl-(2-fluorophenyl)methyl]amino]-3-methylsulfanyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[[diethoxyphosphoryl-(2-fluorophenyl)methyl]amino]-3-methylsulfanyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[[diethoxyphosphoryl-(2-fluorophenyl)methyl]amino]-3-(methylthio)-2-propenamide IUPAC Name: (E)-2-cyano-3-[[diethoxyphosphoryl-(2-fluorophenyl)methyl]amino]-3-methylsulfanylprop-2-enamide Traditional Name: (E)-2-cyano-3-[[diethoxyphosphoryl-(2-fluorophenyl)methyl]amino]-3-(methylthio)acrylamide Formula: C16H21FN3O4PS MolecularWeight: 401.392804

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC=CC=C1F)NC(=C(C#N)C(=O)N)SC)OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC=CC=C1F)N/C(=C(/C#N)\C(=O)N)/SC)OCC

InChI

InChI=1S/C16H21FN3O4PS/c1-4-23-25(22,24-5-2)15(11-8-6-7-9-13(11)17)20-16(26-3)12(10-18)14(19)21/h6-9,15,20H,4-5H2,1-3H3,(H2,19,21)/b16-12+