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

Systemtic Name: 2-ethoxyethyl (E)-2-cyano-3-[[dipropoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanyl-prop-2-enoate Openeye Name: 2-ethoxyethyl (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 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (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 2-ethoxyethyl ester Formula: C22H33N2O6PS MolecularWeight: 484.545981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N2O6PS/c1-5-13-29-31(26,30-14-6-2)20(18-11-9-8-10-12-18)24-21(32-4)19(17-23)22(25)28-16-15-27-7-3/h8-12,20,24H,5-7,13-16H2,1-4H3/b21-19+