S-[4-[3-(4-ethanoylsulfanylbut-1-ynyl)-5-ethynyl-phenyl]but-3-ynyl] ethanethioate

Systemtic Name: S-[4-[3-(4-ethanoylsulfanylbut-1-ynyl)-5-ethynyl-phenyl]but-3-ynyl] ethanethioate Openeye Name: S-[4-[3-(4-acetylsulfanylbut-1-ynyl)-5-ethynyl-phenyl]but-3-ynyl] ethanethioate CAS Name: ethanethioic acid S-[4-[3-[4-(acetylthio)but-1-ynyl]-5-ethynylphenyl]but-3-ynyl] ester IUPAC Name: S-[4-[3-(4-acetylsulfanylbut-1-ynyl)-5-ethynylphenyl]but-3-ynyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[3-[4-(acetylthio)but-1-ynyl]-5-ethynyl-phenyl]but-3-ynyl] ester Formula: C20H18O2S2 MolecularWeight: 354.48572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC#CC1=CC(=CC(=C1)C#C)C#CCCSC(=O)C

Isomeric SMILES

CC(=O)SCCC#CC1=CC(=CC(=C1)C#C)C#CCCSC(=O)C

InChI

InChI=1S/C20H18O2S2/c1-4-18-13-19(9-5-7-11-23-16(2)21)15-20(14-18)10-6-8-12-24-17(3)22/h1,13-15H,7-8,11-12H2,2-3H3