methyl 4-[6-[3,5-bis(chloranyl)pyridin-4-yl]hexylsulfanyl]-3-cyano-3-oxidanyl-butanoate

Systemtic Name: methyl 4-[6-[3,5-bis(chloranyl)pyridin-4-yl]hexylsulfanyl]-3-cyano-3-oxidanyl-butanoate Openeye Name: methyl 3-cyano-4-[6-(3,5-dichloro-4-pyridyl)hexylsulfanyl]-3-hydroxy-butanoate CAS Name: 3-cyano-4-[6-(3,5-dichloro-4-pyridinyl)hexylthio]-3-hydroxybutanoic acid methyl ester IUPAC Name: methyl 3-cyano-4-[6-(3,5-dichloropyridin-4-yl)hexylsulfanyl]-3-hydroxybutanoate Traditional Name: 3-cyano-4-[6-(3,5-dichloro-4-pyridyl)hexylthio]-3-hydroxy-butyric acid methyl ester Formula: C17H22Cl2N2O3S MolecularWeight: 405.33918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSCCCCCCC1=C(C=NC=C1Cl)Cl)(C#N)O

Isomeric SMILES

COC(=O)CC(CSCCCCCCC1=C(C=NC=C1Cl)Cl)(C#N)O

InChI

InChI=1S/C17H22Cl2N2O3S/c1-24-16(22)8-17(23,11-20)12-25-7-5-3-2-4-6-13-14(18)9-21-10-15(13)19/h9-10,23H,2-8,12H2,1H3