2-ethoxyethyl (E)-2-cyano-3-[[di(propan-2-yloxy)phosphoryl-phenyl-methyl]amino]-3-methylsulfanyl-prop-2-enoate

Systemtic Name: 2-ethoxyethyl (E)-2-cyano-3-[[di(propan-2-yloxy)phosphoryl-phenyl-methyl]amino]-3-methylsulfanyl-prop-2-enoate Openeye Name: 2-ethoxyethyl (E)-2-cyano-3-[[diisopropoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-[[di(propan-2-yloxy)phosphoryl-phenylmethyl]amino]-3-(methylthio)-2-propenoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (E)-2-cyano-3-[[di(propan-2-yloxy)phosphoryl-phenylmethyl]amino]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-[[diisopropoxyphosphoryl(phenyl)methyl]amino]-3-(methylthio)acrylic acid 2-ethoxyethyl ester Formula: C22H33N2O6PS MolecularWeight: 484.545981

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C(=C(NC(C1=CC=CC=C1)P(=O)(OC(C)C)OC(C)C)SC)C#N

Isomeric SMILES

CCOCCOC(=O)/C(=C(\NC(C1=CC=CC=C1)P(=O)(OC(C)C)OC(C)C)/SC)/C#N

InChI

InChI=1S/C22H33N2O6PS/c1-7-27-13-14-28-22(25)19(15-23)21(32-6)24-20(18-11-9-8-10-12-18)31(26,29-16(2)3)30-17(4)5/h8-12,16-17,20,24H,7,13-14H2,1-6H3/b21-19+