2-[2-[1-(oxan-2-yloxy)ethyl]phenyl]sulfanylpropyl 4H-pyridine-1-carboxylate

Systemtic Name: 2-[2-[1-(oxan-2-yloxy)ethyl]phenyl]sulfanylpropyl 4H-pyridine-1-carboxylate Openeye Name: 2-[2-(1-tetrahydropyran-2-yloxyethyl)phenyl]sulfanylpropyl 4H-pyridine-1-carboxylate CAS Name: 4H-pyridine-1-carboxylic acid 2-[[2-[1-(2-oxanyloxy)ethyl]phenyl]thio]propyl ester IUPAC Name: 2-[2-[1-(oxan-2-yloxy)ethyl]phenyl]sulfanylpropyl 4H-pyridine-1-carboxylate Traditional Name: 4H-pyridine-1-carboxylic acid 2-[[2-(1-tetrahydropyran-2-yloxyethyl)phenyl]thio]propyl ester Formula: C22H29NO4S MolecularWeight: 403.53496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)N1C=CCC=C1)SC2=CC=CC=C2C(C)OC3CCCCO3

Isomeric SMILES

CC(COC(=O)N1C=CCC=C1)SC2=CC=CC=C2C(C)OC3CCCCO3

InChI

InChI=1S/C22H29NO4S/c1-17(16-26-22(24)23-13-7-3-8-14-23)28-20-11-5-4-10-19(20)18(2)27-21-12-6-9-15-25-21/h4-5,7-8,10-11,13-14,17-18,21H,3,6,9,12,15-16H2,1-2H3