diethyl 2-[cyano(thiophen-2-yl)methyl]propanedioate

Systemtic Name: diethyl 2-[cyano(thiophen-2-yl)methyl]propanedioate Openeye Name: diethyl 2-[cyano(2-thienyl)methyl]propanedioate CAS Name: 2-[cyano(thiophen-2-yl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[cyano(thiophen-2-yl)methyl]propanedioate Traditional Name: 2-[cyano(2-thienyl)methyl]malonic acid diethyl ester Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4S/c1-3-17-12(15)11(13(16)18-4-2)9(8-14)10-6-5-7-19-10/h5-7,9,11H,3-4H2,1-2H3