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

Systemtic Name: (E)-2-cyano-3-[[di(propan-2-yloxy)phosphoryl-phenyl-methyl]amino]-3-methylsulfanyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[[diisopropoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[[di(propan-2-yloxy)phosphoryl-phenylmethyl]amino]-3-(methylthio)-2-propenamide IUPAC Name: (E)-2-cyano-3-[[di(propan-2-yloxy)phosphoryl-phenylmethyl]amino]-3-methylsulfanylprop-2-enamide Traditional Name: (E)-2-cyano-3-[[diisopropoxyphosphoryl(phenyl)methyl]amino]-3-(methylthio)acrylamide Formula: C18H26N3O4PS MolecularWeight: 411.455501

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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)N)SC)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26N3O4PS/c1-12(2)24-26(23,25-13(3)4)17(14-9-7-6-8-10-14)21-18(27-5)15(11-19)16(20)22/h6-10,12-13,17,21H,1-5H3,(H2,20,22)/b18-15+