methyl 3-cyano-3-oxidanyl-4-(6-pyridin-2-ylhexylsulfanyl)butanoate

Systemtic Name: methyl 3-cyano-3-oxidanyl-4-(6-pyridin-2-ylhexylsulfanyl)butanoate Openeye Name: methyl 3-cyano-3-hydroxy-4-[6-(2-pyridyl)hexylsulfanyl]butanoate CAS Name: 3-cyano-3-hydroxy-4-[6-(2-pyridinyl)hexylthio]butanoic acid methyl ester IUPAC Name: methyl 3-cyano-3-hydroxy-4-(6-pyridin-2-ylhexylsulfanyl)butanoate Traditional Name: 3-cyano-3-hydroxy-4-[6-(2-pyridyl)hexylthio]butyric acid methyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSCCCCCCC1=CC=CC=N1)(C#N)O

Isomeric SMILES

COC(=O)CC(CSCCCCCCC1=CC=CC=N1)(C#N)O

InChI

InChI=1S/C17H24N2O3S/c1-22-16(20)12-17(21,13-18)14-23-11-7-3-2-4-8-15-9-5-6-10-19-15/h5-6,9-10,21H,2-4,7-8,11-12,14H2,1H3