1-[2-(3-oxidanylpropyl)phenyl]sulfanylbutyl 4H-pyridine-1-carboxylate

Systemtic Name: 1-[2-(3-oxidanylpropyl)phenyl]sulfanylbutyl 4H-pyridine-1-carboxylate Openeye Name: 1-[2-(3-hydroxypropyl)phenyl]sulfanylbutyl 4H-pyridine-1-carboxylate CAS Name: 4H-pyridine-1-carboxylic acid 1-[[2-(3-hydroxypropyl)phenyl]thio]butyl ester IUPAC Name: 1-[2-(3-hydroxypropyl)phenyl]sulfanylbutyl 4H-pyridine-1-carboxylate Traditional Name: 4H-pyridine-1-carboxylic acid 1-[[2-(3-hydroxypropyl)phenyl]thio]butyl ester Formula: C19H25NO3S MolecularWeight: 347.4717

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(OC(=O)N1C=CCC=C1)SC2=CC=CC=C2CCCO

Isomeric SMILES

CCCC(OC(=O)N1C=CCC=C1)SC2=CC=CC=C2CCCO

InChI

InChI=1S/C19H25NO3S/c1-2-9-18(23-19(22)20-13-6-3-7-14-20)24-17-12-5-4-10-16(17)11-8-15-21/h4-7,10,12-14,18,21H,2-3,8-9,11,15H2,1H3