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

Systemtic Name: 1-[2-(4-oxidanylbutyl)phenyl]sulfanylethyl 4H-pyridine-1-carboxylate Openeye Name: 1-[2-(4-hydroxybutyl)phenyl]sulfanylethyl 4H-pyridine-1-carboxylate CAS Name: 4H-pyridine-1-carboxylic acid 1-[[2-(4-hydroxybutyl)phenyl]thio]ethyl ester IUPAC Name: 1-[2-(4-hydroxybutyl)phenyl]sulfanylethyl 4H-pyridine-1-carboxylate Traditional Name: 4H-pyridine-1-carboxylic acid 1-[[2-(4-hydroxybutyl)phenyl]thio]ethyl ester Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3S/c1-15(22-18(21)19-12-6-2-7-13-19)23-17-11-4-3-9-16(17)10-5-8-14-20/h3-4,6-7,9,11-13,15,20H,2,5,8,10,14H2,1H3