S-[(3R)-5-phenylpent-1-yn-3-yl] ethanethioate

Systemtic Name: S-[(3R)-5-phenylpent-1-yn-3-yl] ethanethioate Openeye Name: S-[(1R)-1-phenethylprop-2-ynyl] ethanethioate CAS Name: ethanethioic acid S-[(3R)-5-phenylpent-1-yn-3-yl] ester IUPAC Name: S-[(3R)-5-phenylpent-1-yn-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[(1R)-1-phenethylprop-2-ynyl] ester Formula: C13H14OS MolecularWeight: 218.31466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CCC1=CC=CC=C1)C#C

Isomeric SMILES

CC(=O)S[C@H](CCC1=CC=CC=C1)C#C

InChI

InChI=1S/C13H14OS/c1-3-13(15-11(2)14)10-9-12-7-5-4-6-8-12/h1,4-8,13H,9-10H2,2H3/t13-/m0/s1