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

Systemtic Name: 1-[2-(3-oxidanylpropyl)phenyl]sulfanylethyl 4H-pyridine-1-carboxylate Openeye Name: 1-[2-(3-hydroxypropyl)phenyl]sulfanylethyl 4H-pyridine-1-carboxylate CAS Name: 4H-pyridine-1-carboxylic acid 1-[[2-(3-hydroxypropyl)phenyl]thio]ethyl ester IUPAC Name: 1-[2-(3-hydroxypropyl)phenyl]sulfanylethyl 4H-pyridine-1-carboxylate Traditional Name: 4H-pyridine-1-carboxylic acid 1-[[2-(3-hydroxypropyl)phenyl]thio]ethyl ester Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3S/c1-14(21-17(20)18-11-5-2-6-12-18)22-16-10-4-3-8-15(16)9-7-13-19/h3-6,8,10-12,14,19H,2,7,9,13H2,1H3