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

Systemtic Name: diethyl (E)-2-(2,2-dicyano-1-thiophen-2-yl-ethyl)-3-diethoxyphosphoryl-but-2-enedioate Openeye Name: diethyl (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 diethyl ester IUPAC Name: diethyl (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 diethyl ester Formula: C20H25N2O7PS MolecularWeight: 468.460461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C(=O)OCC)P(=O)(OCC)OCC)C(C1=CC=CS1)C(C#N)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\C(=O)OCC)/P(=O)(OCC)OCC)/C(C1=CC=CS1)C(C#N)C#N

InChI

InChI=1S/C20H25N2O7PS/c1-5-26-19(23)17(16(14(12-21)13-22)15-10-9-11-31-15)18(20(24)27-6-2)30(25,28-7-3)29-8-4/h9-11,14,16H,5-8H2,1-4H3/b18-17+