2-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]thiophene-3-carboxylate

Systemtic Name: 2-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]thiophene-3-carboxylate Openeye Name: 2-[(E)-4-[2-(p-tolyl)phenyl]but-3-en-1-ynyl]thiophene-3-carboxylate CAS Name: 2-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]-3-thiophenecarboxylate IUPAC Name: 2-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]thiophene-3-carboxylate Traditional Name: 2-[(E)-4-[2-(p-tolyl)phenyl]but-3-en-1-ynyl]-3-thenoate Formula: C22H15O2S- MolecularWeight: 343.4183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC=C2C=CC#CC3=C(C=CS3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC=C2/C=C/C#CC3=C(C=CS3)C(=O)[O-]

InChI

InChI=1S/C22H16O2S/c1-16-10-12-18(13-11-16)19-8-4-2-6-17(19)7-3-5-9-21-20(22(23)24)14-15-25-21/h2-4,6-8,10-15H,1H3,(H,23,24)/p-1/b7-3+