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

Systemtic Name: 2-[(E)-4-(2-thiophen-3-ylphenyl)but-3-en-1-ynyl]benzoate Openeye Name: 2-[(E)-4-[2-(3-thienyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 2-[(E)-4-[2-(3-thiophenyl)phenyl]but-3-en-1-ynyl]benzoate IUPAC Name: 2-[(E)-4-(2-thiophen-3-ylphenyl)but-3-en-1-ynyl]benzoate Traditional Name: 2-[(E)-4-[2-(3-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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H14O2S/c22-21(23)20-12-6-4-10-17(20)9-2-1-7-16-8-3-5-11-19(16)18-13-14-24-15-18/h1,3-8,10-15H,(H,22,23)/p-1/b7-1+