[(E)-4-(4-methylphenyl)sulfonyl-6-methylsulfanyl-1-phenyl-hex-5-en-1-yn-3-yl] ethanoate

Systemtic Name: [(E)-4-(4-methylphenyl)sulfonyl-6-methylsulfanyl-1-phenyl-hex-5-en-1-yn-3-yl] ethanoate Openeye Name: [(E)-4-methylsulfanyl-1-(2-phenylethynyl)-2-(p-tolylsulfonyl)but-3-enyl] acetate CAS Name: acetic acid [(E)-4-(4-methylphenyl)sulfonyl-6-(methylthio)-1-phenylhex-5-en-1-yn-3-yl] ester IUPAC Name: [(E)-4-(4-methylphenyl)sulfonyl-6-methylsulfanyl-1-phenylhex-5-en-1-yn-3-yl] acetate Traditional Name: acetic acid [(E)-4-(methylthio)-1-(2-phenylethynyl)-2-tosyl-but-3-enyl] ester Formula: C22H22O4S2 MolecularWeight: 414.53768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C=CSC)C(C#CC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(/C=C/SC)C(C#CC2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C22H22O4S2/c1-17-9-12-20(13-10-17)28(24,25)22(15-16-27-3)21(26-18(2)23)14-11-19-7-5-4-6-8-19/h4-10,12-13,15-16,21-22H,1-3H3/b16-15+