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

Systemtic Name: ethyl (E)-2-cyano-3-[[dibutoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanyl-prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[[dibutoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-[[dibutoxyphosphoryl(phenyl)methyl]amino]-3-(methylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[[dibutoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-[[dibutoxyphosphoryl(phenyl)methyl]amino]-3-(methylthio)acrylic acid ethyl ester Formula: C22H33N2O5PS MolecularWeight: 468.546581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(C(C1=CC=CC=C1)NC(=C(C#N)C(=O)OCC)SC)OCCCC

Isomeric SMILES

CCCCOP(=O)(C(C1=CC=CC=C1)N/C(=C(/C#N)\C(=O)OCC)/SC)OCCCC

InChI

InChI=1S/C22H33N2O5PS/c1-5-8-15-28-30(26,29-16-9-6-2)20(18-13-11-10-12-14-18)24-21(31-4)19(17-23)22(25)27-7-3/h10-14,20,24H,5-9,15-16H2,1-4H3/b21-19+