1-[2-(4-oxidanylbutyl)phenyl]sulfanylbutyl 4H-pyridine-1-carboxylate

Systemtic Name: 1-[2-(4-oxidanylbutyl)phenyl]sulfanylbutyl 4H-pyridine-1-carboxylate Openeye Name: 1-[2-(4-hydroxybutyl)phenyl]sulfanylbutyl 4H-pyridine-1-carboxylate CAS Name: 4H-pyridine-1-carboxylic acid 1-[[2-(4-hydroxybutyl)phenyl]thio]butyl ester IUPAC Name: 1-[2-(4-hydroxybutyl)phenyl]sulfanylbutyl 4H-pyridine-1-carboxylate Traditional Name: 4H-pyridine-1-carboxylic acid 1-[[2-(4-hydroxybutyl)phenyl]thio]butyl ester Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(OC(=O)N1C=CCC=C1)SC2=CC=CC=C2CCCCO

Isomeric SMILES

CCCC(OC(=O)N1C=CCC=C1)SC2=CC=CC=C2CCCCO

InChI

InChI=1S/C20H27NO3S/c1-2-10-19(24-20(23)21-14-7-3-8-15-21)25-18-13-5-4-11-17(18)12-6-9-16-22/h4-5,7-8,11,13-15,19,22H,2-3,6,9-10,12,16H2,1H3