dimethyl (E)-2-(2,2-dicyano-1-thiophen-2-yl-ethyl)-3-diethoxyphosphoryl-but-2-enedioate

Systemtic Name: dimethyl (E)-2-(2,2-dicyano-1-thiophen-2-yl-ethyl)-3-diethoxyphosphoryl-but-2-enedioate Openeye Name: dimethyl (E)-2-[2,2-dicyano-1-(2-thienyl)ethyl]-3-diethoxyphosphoryl-but-2-enedioate CAS Name: (E)-2-(2,2-dicyano-1-thiophen-2-ylethyl)-3-diethoxyphosphoryl-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(2,2-dicyano-1-thiophen-2-ylethyl)-3-diethoxyphosphorylbut-2-enedioate Traditional Name: (E)-2-[2,2-dicyano-1-(2-thienyl)ethyl]-3-diethoxyphosphoryl-but-2-enedioic acid dimethyl ester Formula: C18H21N2O7PS MolecularWeight: 440.407301

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=C(C(C1=CC=CS1)C(C#N)C#N)C(=O)OC)C(=O)OC)OCC

Isomeric SMILES

CCOP(=O)(/C(=C(\C(C1=CC=CS1)C(C#N)C#N)/C(=O)OC)/C(=O)OC)OCC

InChI

InChI=1S/C18H21N2O7PS/c1-5-26-28(23,27-6-2)16(18(22)25-4)15(17(21)24-3)14(12(10-19)11-20)13-8-7-9-29-13/h7-9,12,14H,5-6H2,1-4H3/b16-15+