ethyl 2-cyano-4,4-bis(diethoxyphosphoryl)-3-thiophen-2-yl-butanoate

Systemtic Name: ethyl 2-cyano-4,4-bis(diethoxyphosphoryl)-3-thiophen-2-yl-butanoate Openeye Name: ethyl 2-cyano-4,4-bis(diethoxyphosphoryl)-3-(2-thienyl)butanoate CAS Name: 2-cyano-4,4-bis(diethoxyphosphoryl)-3-thiophen-2-ylbutanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-4,4-bis(diethoxyphosphoryl)-3-thiophen-2-ylbutanoate Traditional Name: 2-cyano-4,4-bis(diethoxyphosphoryl)-3-(2-thienyl)butyric acid ethyl ester Formula: C19H31NO8P2S MolecularWeight: 495.463862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO8P2S/c1-6-24-18(21)15(14-20)17(16-12-11-13-31-16)19(29(22,25-7-2)26-8-3)30(23,27-9-4)28-10-5/h11-13,15,17,19H,6-10H2,1-5H3