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

Systemtic Name: 2-ethoxyethyl (E)-2-cyano-3-[[diethoxyphosphoryl-(2-fluorophenyl)methyl]amino]-3-methylsulfanyl-prop-2-enoate Openeye Name: 2-ethoxyethyl (E)-2-cyano-3-[[diethoxyphosphoryl-(2-fluorophenyl)methyl]amino]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-[[diethoxyphosphoryl-(2-fluorophenyl)methyl]amino]-3-(methylthio)-2-propenoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (E)-2-cyano-3-[[diethoxyphosphoryl-(2-fluorophenyl)methyl]amino]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-[[diethoxyphosphoryl-(2-fluorophenyl)methyl]amino]-3-(methylthio)acrylic acid 2-ethoxyethyl ester Formula: C20H28FN2O6PS MolecularWeight: 474.483284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOCCOC(=O)/C(=C(\NC(C1=CC=CC=C1F)P(=O)(OCC)OCC)/SC)/C#N

InChI

InChI=1S/C20H28FN2O6PS/c1-5-26-12-13-27-20(24)16(14-22)19(31-4)23-18(15-10-8-9-11-17(15)21)30(25,28-6-2)29-7-3/h8-11,18,23H,5-7,12-13H2,1-4H3/b19-16+