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

Systemtic Name: 2-phenoxyethyl (E)-3-[[bis(2-ethoxyethoxy)phosphoryl-phenyl-methyl]amino]-2-cyano-3-methylsulfanyl-prop-2-enoate Openeye Name: 2-phenoxyethyl (E)-3-[[bis(2-ethoxyethoxy)phosphoryl-phenyl-methyl]amino]-2-cyano-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-3-[[bis(2-ethoxyethoxy)phosphoryl-phenylmethyl]amino]-2-cyano-3-(methylthio)-2-propenoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (E)-3-[[bis(2-ethoxyethoxy)phosphoryl-phenylmethyl]amino]-2-cyano-3-methylsulfanylprop-2-enoate Traditional Name: (E)-3-[[bis(2-ethoxyethoxy)phosphoryl-phenyl-methyl]amino]-2-cyano-3-(methylthio)acrylic acid 2-phenoxyethyl ester Formula: C28H37N2O8PS MolecularWeight: 592.640741

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOP(=O)(C(C1=CC=CC=C1)NC(=C(C#N)C(=O)OCCOC2=CC=CC=C2)SC)OCCOCC

Isomeric SMILES

CCOCCOP(=O)(C(C1=CC=CC=C1)N/C(=C(/C#N)\C(=O)OCCOC2=CC=CC=C2)/SC)OCCOCC

InChI

InChI=1S/C28H37N2O8PS/c1-4-33-16-20-37-39(32,38-21-17-34-5-2)26(23-12-8-6-9-13-23)30-27(40-3)25(22-29)28(31)36-19-18-35-24-14-10-7-11-15-24/h6-15,26,30H,4-5,16-21H2,1-3H3/b27-25+