[4-(2,5-dimethylphenyl)sulfanyl-1-phenyl-but-2-ynyl] ethanoate

Systemtic Name: [4-(2,5-dimethylphenyl)sulfanyl-1-phenyl-but-2-ynyl] ethanoate Openeye Name: [4-(2,5-dimethylphenyl)sulfanyl-1-phenyl-but-2-ynyl] acetate CAS Name: acetic acid [4-[(2,5-dimethylphenyl)thio]-1-phenylbut-2-ynyl] ester IUPAC Name: [4-(2,5-dimethylphenyl)sulfanyl-1-phenylbut-2-ynyl] acetate Traditional Name: acetic acid [4-[(2,5-dimethylphenyl)thio]-1-phenyl-but-2-ynyl] ester Formula: C20H20O2S MolecularWeight: 324.4366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC#CC(C2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC#CC(C2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C20H20O2S/c1-15-11-12-16(2)20(14-15)23-13-7-10-19(22-17(3)21)18-8-5-4-6-9-18/h4-6,8-9,11-12,14,19H,13H2,1-3H3