S-(isoquinolin-1-ylmethyl) propanethioate

Systemtic Name: S-(isoquinolin-1-ylmethyl) propanethioate Openeye Name: S-(1-isoquinolylmethyl) propanethioate CAS Name: propanethioic acid S-(1-isoquinolinylmethyl) ester IUPAC Name: S-(isoquinolin-1-ylmethyl) propanethioate Traditional Name: propanethioic acid S-(1-isoquinolylmethyl) ester Formula: C13H13NOS MolecularWeight: 231.31342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SCC1=NC=CC2=CC=CC=C21

Isomeric SMILES

CCC(=O)SCC1=NC=CC2=CC=CC=C21

InChI

InChI=1S/C13H13NOS/c1-2-13(15)16-9-12-11-6-4-3-5-10(11)7-8-14-12/h3-8H,2,9H2,1H3