S-(3-phenylpropyl) ethanethioate

Systemtic Name: S-(3-phenylpropyl) ethanethioate Openeye Name: S-(3-phenylpropyl) ethanethioate CAS Name: ethanethioic acid S-(3-phenylpropyl) ester IUPAC Name: S-(3-phenylpropyl) ethanethioate Traditional Name: ethanethioic acid S-(3-phenylpropyl) ester Formula: C11H14OS MolecularWeight: 194.29326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCC1=CC=CC=C1

Isomeric SMILES

CC(=O)SCCCC1=CC=CC=C1

InChI

InChI=1S/C11H14OS/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3