2-phenoxyethyl (E)-3-[[bis(2-methoxyethoxy)phosphoryl-phenyl-methyl]amino]-2-cyano-3-methylsulfanyl-prop-2-enoate

Systemtic Name: 2-phenoxyethyl (E)-3-[[bis(2-methoxyethoxy)phosphoryl-phenyl-methyl]amino]-2-cyano-3-methylsulfanyl-prop-2-enoate Openeye Name: 2-phenoxyethyl (E)-3-[[bis(2-methoxyethoxy)phosphoryl-phenyl-methyl]amino]-2-cyano-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-3-[[bis(2-methoxyethoxy)phosphoryl-phenylmethyl]amino]-2-cyano-3-(methylthio)-2-propenoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (E)-3-[[bis(2-methoxyethoxy)phosphoryl-phenylmethyl]amino]-2-cyano-3-methylsulfanylprop-2-enoate Traditional Name: (E)-3-[[bis(2-methoxyethoxy)phosphoryl-phenyl-methyl]amino]-2-cyano-3-(methylthio)acrylic acid 2-phenoxyethyl ester Formula: C26H33N2O8PS MolecularWeight: 564.587581

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Descriptors Computed from Structure

Canonical SMILES:

COCCOP(=O)(C(C1=CC=CC=C1)NC(=C(C#N)C(=O)OCCOC2=CC=CC=C2)SC)OCCOC

Isomeric SMILES

COCCOP(=O)(C(C1=CC=CC=C1)N/C(=C(/C#N)\C(=O)OCCOC2=CC=CC=C2)/SC)OCCOC

InChI

InChI=1S/C26H33N2O8PS/c1-31-14-18-35-37(30,36-19-15-32-2)24(21-10-6-4-7-11-21)28-25(38-3)23(20-27)26(29)34-17-16-33-22-12-8-5-9-13-22/h4-13,24,28H,14-19H2,1-3H3/b25-23+