(5-phenyl-1-phenylsulfanyl-pent-1-yn-3-yl) ethanoate

Systemtic Name: (5-phenyl-1-phenylsulfanyl-pent-1-yn-3-yl) ethanoate Openeye Name: (1-phenethyl-3-phenylsulfanyl-prop-2-ynyl) acetate CAS Name: acetic acid [5-phenyl-1-(phenylthio)pent-1-yn-3-yl] ester IUPAC Name: (5-phenyl-1-phenylsulfanylpent-1-yn-3-yl) acetate Traditional Name: acetic acid [1-phenethyl-3-(phenylthio)prop-2-ynyl] ester Formula: C19H18O2S MolecularWeight: 310.41002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCC1=CC=CC=C1)C#CSC2=CC=CC=C2

Isomeric SMILES

CC(=O)OC(CCC1=CC=CC=C1)C#CSC2=CC=CC=C2

InChI

InChI=1S/C19H18O2S/c1-16(20)21-18(13-12-17-8-4-2-5-9-17)14-15-22-19-10-6-3-7-11-19/h2-11,18H,12-13H2,1H3