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

Systemtic Name: 2-ethoxyethyl (E)-2-cyano-3-[[dibutoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanyl-prop-2-enoate Openeye Name: 2-ethoxyethyl (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 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (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 2-ethoxyethyl ester Formula: C24H37N2O6PS MolecularWeight: 512.599141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H37N2O6PS/c1-5-8-15-31-33(28,32-16-9-6-2)22(20-13-11-10-12-14-20)26-23(34-4)21(19-25)24(27)30-18-17-29-7-3/h10-14,22,26H,5-9,15-18H2,1-4H3/b23-21+