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

Systemtic Name: methyl (E)-2-cyano-3-[[diethoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[[diethoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-[[diethoxyphosphoryl(phenyl)methyl]amino]-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[[diethoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-[[diethoxyphosphoryl(phenyl)methyl]amino]-3-(methylthio)acrylic acid methyl ester Formula: C17H23N2O5PS MolecularWeight: 398.413681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N2O5PS/c1-5-23-25(21,24-6-2)15(13-10-8-7-9-11-13)19-16(26-4)14(12-18)17(20)22-3/h7-11,15,19H,5-6H2,1-4H3/b16-14+