S-(2-isoquinolin-1-ylethyl) ethanethioate

Systemtic Name: S-(2-isoquinolin-1-ylethyl) ethanethioate Openeye Name: S-[2-(1-isoquinolyl)ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-(1-isoquinolinyl)ethyl] ester IUPAC Name: S-(2-isoquinolin-1-ylethyl) ethanethioate Traditional Name: ethanethioic acid S-[2-(1-isoquinolyl)ethyl] ester Formula: C13H13NOS MolecularWeight: 231.31342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC1=NC=CC2=CC=CC=C21

Isomeric SMILES

CC(=O)SCCC1=NC=CC2=CC=CC=C21

InChI

InChI=1S/C13H13NOS/c1-10(15)16-9-7-13-12-5-3-2-4-11(12)6-8-14-13/h2-6,8H,7,9H2,1H3