3-[2-[1-(oxan-2-yloxy)propyl]phenyl]sulfanylpropyl 4H-pyridine-1-carboxylate

Systemtic Name: 3-[2-[1-(oxan-2-yloxy)propyl]phenyl]sulfanylpropyl 4H-pyridine-1-carboxylate Openeye Name: 3-[2-(1-tetrahydropyran-2-yloxypropyl)phenyl]sulfanylpropyl 4H-pyridine-1-carboxylate CAS Name: 4H-pyridine-1-carboxylic acid 3-[[2-[1-(2-oxanyloxy)propyl]phenyl]thio]propyl ester IUPAC Name: 3-[2-[1-(oxan-2-yloxy)propyl]phenyl]sulfanylpropyl 4H-pyridine-1-carboxylate Traditional Name: 4H-pyridine-1-carboxylic acid 3-[[2-(1-tetrahydropyran-2-yloxypropyl)phenyl]thio]propyl ester Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1SCCCOC(=O)N2C=CCC=C2)OC3CCCCO3

Isomeric SMILES

CCC(C1=CC=CC=C1SCCCOC(=O)N2C=CCC=C2)OC3CCCCO3

InChI

InChI=1S/C23H31NO4S/c1-2-20(28-22-13-6-9-16-26-22)19-11-4-5-12-21(19)29-18-10-17-27-23(25)24-14-7-3-8-15-24/h4-5,7-8,11-12,14-15,20,22H,2-3,6,9-10,13,16-18H2,1H3