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

Systemtic Name: ethyl (E)-2-cyano-3-[[dipropoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanyl-prop-2-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C20H29N2O5PS MolecularWeight: 440.493421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N2O5PS/c1-5-13-26-28(24,27-14-6-2)18(16-11-9-8-10-12-16)22-19(29-4)17(15-21)20(23)25-7-3/h8-12,18,22H,5-7,13-14H2,1-4H3/b19-17+