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

Systemtic Name: 1-[2-[1-(oxan-2-yloxy)propyl]phenyl]sulfanylpropyl 2-ethyl-4H-pyridine-1-carboxylate Openeye Name: 1-[2-(1-tetrahydropyran-2-yloxypropyl)phenyl]sulfanylpropyl 2-ethyl-4H-pyridine-1-carboxylate CAS Name: 2-ethyl-4H-pyridine-1-carboxylic acid 1-[[2-[1-(2-oxanyloxy)propyl]phenyl]thio]propyl ester IUPAC Name: 1-[2-[1-(oxan-2-yloxy)propyl]phenyl]sulfanylpropyl 2-ethyl-4H-pyridine-1-carboxylate Traditional Name: 2-ethyl-4H-pyridine-1-carboxylic acid 1-[[2-(1-tetrahydropyran-2-yloxypropyl)phenyl]thio]propyl ester Formula: C25H35NO4S MolecularWeight: 445.6147

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CCC=CN1C(=O)OC(CC)SC2=CC=CC=C2C(CC)OC3CCCCO3

Isomeric SMILES

CCC1=CCC=CN1C(=O)OC(CC)SC2=CC=CC=C2C(CC)OC3CCCCO3

InChI

InChI=1S/C25H35NO4S/c1-4-19-13-9-11-17-26(19)25(27)30-24(6-3)31-22-15-8-7-14-20(22)21(5-2)29-23-16-10-12-18-28-23/h7-8,11,13-15,17,21,23-24H,4-6,9-10,12,16,18H2,1-3H3