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

Systemtic Name: ethyl (E)-2-cyano-3-[[di(propan-2-yloxy)phosphoryl-phenyl-methyl]amino]-3-methylsulfanyl-prop-2-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C20H29N2O5PS MolecularWeight: 440.493421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N2O5PS/c1-7-25-20(23)17(13-21)19(29-6)22-18(16-11-9-8-10-12-16)28(24,26-14(2)3)27-15(4)5/h8-12,14-15,18,22H,7H2,1-6H3/b19-17+