[4-[2-(4-methylsulfanylphenyl)ethynyl]phenyl] 2-methylbutanoate

Systemtic Name: [4-[2-(4-methylsulfanylphenyl)ethynyl]phenyl] 2-methylbutanoate Openeye Name: [4-[2-(4-methylsulfanylphenyl)ethynyl]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-[2-[4-(methylthio)phenyl]ethynyl]phenyl] ester IUPAC Name: [4-[2-(4-methylsulfanylphenyl)ethynyl]phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-[2-[4-(methylthio)phenyl]ethynyl]phenyl] ester Formula: C20H20O2S MolecularWeight: 324.4366

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=CC=C(C=C1)C#CC2=CC=C(C=C2)SC

Isomeric SMILES

CCC(C)C(=O)OC1=CC=C(C=C1)C#CC2=CC=C(C=C2)SC

InChI

InChI=1S/C20H20O2S/c1-4-15(2)20(21)22-18-11-7-16(8-12-18)5-6-17-9-13-19(23-3)14-10-17/h7-15H,4H2,1-3H3