3-pyridin-3-yloxypropylsulfanylmethyl oxane-4-carboxylate

Systemtic Name: 3-pyridin-3-yloxypropylsulfanylmethyl oxane-4-carboxylate Openeye Name: 3-(3-pyridyloxy)propylsulfanylmethyl tetrahydropyran-4-carboxylate CAS Name: 4-oxanecarboxylic acid [3-(3-pyridinyloxy)propylthio]methyl ester IUPAC Name: 3-pyridin-3-yloxypropylsulfanylmethyl oxane-4-carboxylate Traditional Name: tetrahydropyran-4-carboxylic acid [3-(3-pyridyloxy)propylthio]methyl ester Formula: C15H21NO4S MolecularWeight: 311.39654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C(=O)OCSCCCOC2=CN=CC=C2

Isomeric SMILES

C1COCCC1C(=O)OCSCCCOC2=CN=CC=C2

InChI

InChI=1S/C15H21NO4S/c17-15(13-4-8-18-9-5-13)20-12-21-10-2-7-19-14-3-1-6-16-11-14/h1,3,6,11,13H,2,4-5,7-10,12H2