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

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

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C#C/C=C/C2=CC=CC=C2C3=CSC=C3

InChI

InChI=1S/C22H16O2S/c1-24-22(23)19-12-10-17(11-13-19)6-2-3-7-18-8-4-5-9-21(18)20-14-15-25-16-20/h3-5,7-16H,1H3/b7-3+