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

Systemtic Name: methyl 3-cyano-3-oxidanyl-4-(6-pyridin-3-ylhexylsulfanyl)butanoate Openeye Name: methyl 3-cyano-3-hydroxy-4-[6-(3-pyridyl)hexylsulfanyl]butanoate CAS Name: 3-cyano-3-hydroxy-4-[6-(3-pyridinyl)hexylthio]butanoic acid methyl ester IUPAC Name: methyl 3-cyano-3-hydroxy-4-(6-pyridin-3-ylhexylsulfanyl)butanoate Traditional Name: 3-cyano-3-hydroxy-4-[6-(3-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=CN=CC=C1)(C#N)O

Isomeric SMILES

COC(=O)CC(CSCCCCCCC1=CN=CC=C1)(C#N)O

InChI

InChI=1S/C17H24N2O3S/c1-22-16(20)11-17(21,13-18)14-23-10-5-3-2-4-7-15-8-6-9-19-12-15/h6,8-9,12,21H,2-5,7,10-11,14H2,1H3