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

Systemtic Name: ethyl (E)-2-cyano-3-[[diethoxyphosphoryl-(2-fluorophenyl)methyl]amino]-3-methylsulfanyl-prop-2-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C18H24FN2O5PS MolecularWeight: 430.430724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24FN2O5PS/c1-5-24-18(22)14(12-20)17(28-4)21-16(13-10-8-9-11-15(13)19)27(23,25-6-2)26-7-3/h8-11,16,21H,5-7H2,1-4H3/b17-14+