2-[(E)-4-(2-thiophen-2-ylphenyl)but-3-en-1-ynyl]benzoate

Systemtic Name: 2-[(E)-4-(2-thiophen-2-ylphenyl)but-3-en-1-ynyl]benzoate Openeye Name: 2-[(E)-4-[2-(2-thienyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 2-[(E)-4-(2-thiophen-2-ylphenyl)but-3-en-1-ynyl]benzoate IUPAC Name: 2-[(E)-4-(2-thiophen-2-ylphenyl)but-3-en-1-ynyl]benzoate Traditional Name: 2-[(E)-4-[2-(2-thienyl)phenyl]but-3-en-1-ynyl]benzoate Formula: C21H13O2S- MolecularWeight: 329.39172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC#CC2=CC=CC=C2C(=O)[O-])C3=CC=CS3

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C#CC2=CC=CC=C2C(=O)[O-])C3=CC=CS3

InChI

InChI=1S/C21H14O2S/c22-21(23)19-13-6-4-11-17(19)10-2-1-8-16-9-3-5-12-18(16)20-14-7-15-24-20/h1,3-9,11-15H,(H,22,23)/p-1/b8-1+