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

Systemtic Name: methyl 4-[(E)-4-(2-thiophen-2-ylphenyl)but-3-en-1-ynyl]benzoate Openeye Name: methyl 4-[(E)-4-[2-(2-thienyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-(2-thiophen-2-ylphenyl)but-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-(2-thiophen-2-ylphenyl)but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[2-(2-thienyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester Formula: C22H16O2S MolecularWeight: 344.42624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C#CC=CC2=CC=CC=C2C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C#C/C=C/C2=CC=CC=C2C3=CC=CS3

InChI

InChI=1S/C22H16O2S/c1-24-22(23)19-14-12-17(13-15-19)7-2-3-8-18-9-4-5-10-20(18)21-11-6-16-25-21/h3-6,8-16H,1H3/b8-3+