S-(quinolin-3-ylmethyl) ethanethioate

Systemtic Name: S-(quinolin-3-ylmethyl) ethanethioate Openeye Name: S-(3-quinolylmethyl) ethanethioate CAS Name: ethanethioic acid S-(3-quinolinylmethyl) ester IUPAC Name: S-(quinolin-3-ylmethyl) ethanethioate Traditional Name: ethanethioic acid S-(3-quinolylmethyl) ester Formula: C12H11NOS MolecularWeight: 217.28684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC2=CC=CC=C2N=C1

Isomeric SMILES

CC(=O)SCC1=CC2=CC=CC=C2N=C1

InChI

InChI=1S/C12H11NOS/c1-9(14)15-8-10-6-11-4-2-3-5-12(11)13-7-10/h2-7H,8H2,1H3