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

Systemtic Name: methyl (E)-2-cyano-3-[[dipropoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[[dipropoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-[[dipropoxyphosphoryl(phenyl)methyl]amino]-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[[dipropoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-[[dipropoxyphosphoryl(phenyl)methyl]amino]-3-(methylthio)acrylic acid methyl ester Formula: C19H27N2O5PS MolecularWeight: 426.466841

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Descriptors Computed from Structure

Canonical SMILES:

CCCOP(=O)(C(C1=CC=CC=C1)NC(=C(C#N)C(=O)OC)SC)OCCC

Isomeric SMILES

CCCOP(=O)(C(C1=CC=CC=C1)N/C(=C(/C#N)\C(=O)OC)/SC)OCCC

InChI

InChI=1S/C19H27N2O5PS/c1-5-12-25-27(23,26-13-6-2)17(15-10-8-7-9-11-15)21-18(28-4)16(14-20)19(22)24-3/h7-11,17,21H,5-6,12-13H2,1-4H3/b18-16+