[(E)-1-cyano-4-phenyl-1-thiophen-2-yl-but-1-en-3-yn-2-yl] benzoate

Systemtic Name: [(E)-1-cyano-4-phenyl-1-thiophen-2-yl-but-1-en-3-yn-2-yl] benzoate Openeye Name: [(1E)-1-[cyano(2-thienyl)methylene]-3-phenyl-prop-2-ynyl] benzoate CAS Name: benzoic acid [(E)-1-cyano-4-phenyl-1-thiophen-2-ylbut-1-en-3-yn-2-yl] ester IUPAC Name: [(E)-1-cyano-4-phenyl-1-thiophen-2-ylbut-1-en-3-yn-2-yl] benzoate Traditional Name: benzoic acid [(1E)-1-[cyano(2-thienyl)methylene]-3-phenyl-prop-2-ynyl] ester Formula: C22H13NO2S MolecularWeight: 355.40912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC(=C(C#N)C2=CC=CS2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C#C/C(=C(/C#N)\C2=CC=CS2)/OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H13NO2S/c23-16-19(21-12-7-15-26-21)20(14-13-17-8-3-1-4-9-17)25-22(24)18-10-5-2-6-11-18/h1-12,15H/b20-19+