ethyl 2-cyano-3-phenyl-3-thiophen-2-yl-butanoate

Systemtic Name: ethyl 2-cyano-3-phenyl-3-thiophen-2-yl-butanoate Openeye Name: ethyl 2-cyano-3-phenyl-3-(2-thienyl)butanoate CAS Name: 2-cyano-3-phenyl-3-thiophen-2-ylbutanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-phenyl-3-thiophen-2-ylbutanoate Traditional Name: 2-cyano-3-phenyl-3-(2-thienyl)butyric acid ethyl ester Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(C)(C1=CC=CC=C1)C2=CC=CS2

Isomeric SMILES

CCOC(=O)C(C#N)C(C)(C1=CC=CC=C1)C2=CC=CS2

InChI

InChI=1S/C17H17NO2S/c1-3-20-16(19)14(12-18)17(2,15-10-7-11-21-15)13-8-5-4-6-9-13/h4-11,14H,3H2,1-2H3