phenacyl 3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]propanoate

Systemtic Name: phenacyl 3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]propanoate Openeye Name: phenacyl 3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]propanoate CAS Name: 3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]propanoic acid phenacyl ester IUPAC Name: phenacyl 3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]propanoate Traditional Name: 3-[(3-cyano-1-pyrindan-2-yl)thio]propionic acid phenacyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(C(=C2)C#N)SCCC(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC2=C(C1)N=C(C(=C2)C#N)SCCC(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3S/c21-12-16-11-15-7-4-8-17(15)22-20(16)26-10-9-19(24)25-13-18(23)14-5-2-1-3-6-14/h1-3,5-6,11H,4,7-10,13H2