methyl 5-[4-[2-(4-methylphenyl)phenyl]buta-1,3-diynyl]thiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[2-(4-methylphenyl)phenyl]buta-1,3-diynyl]thiophene-3-carboxylate Openeye Name: methyl 5-[4-[2-(p-tolyl)phenyl]buta-1,3-diynyl]thiophene-3-carboxylate CAS Name: 5-[4-[2-(4-methylphenyl)phenyl]buta-1,3-diynyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[2-(4-methylphenyl)phenyl]buta-1,3-diynyl]thiophene-3-carboxylate Traditional Name: 5-[4-[2-(p-tolyl)phenyl]buta-1,3-diynyl]thiophene-3-carboxylic acid methyl ester Formula: C23H16O2S MolecularWeight: 356.43694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC=C2C#CC#CC3=CC(=CS3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC=C2C#CC#CC3=CC(=CS3)C(=O)OC

InChI

InChI=1S/C23H16O2S/c1-17-11-13-19(14-12-17)22-10-6-4-8-18(22)7-3-5-9-21-15-20(16-26-21)23(24)25-2/h4,6,8,10-16H,1-2H3