S-pyridin-2-yl oct-7-enethioate

Systemtic Name: S-pyridin-2-yl oct-7-enethioate Openeye Name: S-(2-pyridyl) oct-7-enethioate CAS Name: 7-octenethioic acid S-(2-pyridinyl) ester IUPAC Name: S-pyridin-2-yl oct-7-enethioate Traditional Name: oct-7-enethioic acid S-(2-pyridyl) ester Formula: C13H17NOS MolecularWeight: 235.34518

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCCC(=O)SC1=CC=CC=N1

Isomeric SMILES

C=CCCCCCC(=O)SC1=CC=CC=N1

InChI

InChI=1S/C13H17NOS/c1-2-3-4-5-6-10-13(15)16-12-9-7-8-11-14-12/h2,7-9,11H,1,3-6,10H2