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

Systemtic Name: 2-methoxyethyl (E)-3-[[bis(2-methoxyethoxy)phosphoryl-phenyl-methyl]amino]-2-cyano-3-methylsulfanyl-prop-2-enoate Openeye Name: 2-methoxyethyl (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-methoxyethyl ester IUPAC Name: 2-methoxyethyl (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-methoxyethyl ester Formula: C21H31N2O8PS MolecularWeight: 502.518201

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C(=C(NC(C1=CC=CC=C1)P(=O)(OCCOC)OCCOC)SC)C#N

Isomeric SMILES

COCCOC(=O)/C(=C(\NC(C1=CC=CC=C1)P(=O)(OCCOC)OCCOC)/SC)/C#N

InChI

InChI=1S/C21H31N2O8PS/c1-26-10-13-29-21(24)18(16-22)20(33-4)23-19(17-8-6-5-7-9-17)32(25,30-14-11-27-2)31-15-12-28-3/h5-9,19,23H,10-15H2,1-4H3/b20-18+