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

Systemtic Name: 1-[2-[1-(oxan-2-yloxy)propyl]phenyl]sulfanylpropyl 2-propyl-4H-pyridine-1-carboxylate Openeye Name: 1-[2-(1-tetrahydropyran-2-yloxypropyl)phenyl]sulfanylpropyl 2-propyl-4H-pyridine-1-carboxylate CAS Name: 2-propyl-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-propyl-4H-pyridine-1-carboxylate Traditional Name: 2-propyl-4H-pyridine-1-carboxylic acid 1-[[2-(1-tetrahydropyran-2-yloxypropyl)phenyl]thio]propyl ester Formula: C26H37NO4S MolecularWeight: 459.64128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CCC=CN1C(=O)OC(CC)SC2=CC=CC=C2C(CC)OC3CCCCO3

Isomeric SMILES

CCCC1=CCC=CN1C(=O)OC(CC)SC2=CC=CC=C2C(CC)OC3CCCCO3

InChI

InChI=1S/C26H37NO4S/c1-4-13-20-14-9-11-18-27(20)26(28)31-25(6-3)32-23-16-8-7-15-21(23)22(5-2)30-24-17-10-12-19-29-24/h7-8,11,14-16,18,22,24-25H,4-6,9-10,12-13,17,19H2,1-3H3