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

Systemtic Name: methyl (E)-2-cyano-3-[[di(propan-2-yloxy)phosphoryl-phenyl-methyl]amino]-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C19H27N2O5PS MolecularWeight: 426.466841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)OP(=O)(C(C1=CC=CC=C1)N/C(=C(/C#N)\C(=O)OC)/SC)OC(C)C

InChI

InChI=1S/C19H27N2O5PS/c1-13(2)25-27(23,26-14(3)4)17(15-10-8-7-9-11-15)21-18(28-6)16(12-20)19(22)24-5/h7-11,13-14,17,21H,1-6H3/b18-16+