methyl 3-cyano-5-[5-(2,4-dichlorophenyl)pentylsulfanyl]-3-oxidanyl-pentanoate

Systemtic Name: methyl 3-cyano-5-[5-(2,4-dichlorophenyl)pentylsulfanyl]-3-oxidanyl-pentanoate Openeye Name: methyl 3-cyano-5-[5-(2,4-dichlorophenyl)pentylsulfanyl]-3-hydroxy-pentanoate CAS Name: 3-cyano-5-[5-(2,4-dichlorophenyl)pentylthio]-3-hydroxypentanoic acid methyl ester IUPAC Name: methyl 3-cyano-5-[5-(2,4-dichlorophenyl)pentylsulfanyl]-3-hydroxypentanoate Traditional Name: 3-cyano-5-[5-(2,4-dichlorophenyl)pentylthio]-3-hydroxy-valeric acid methyl ester Formula: C18H23Cl2NO3S MolecularWeight: 404.35112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCSCCCCCC1=C(C=C(C=C1)Cl)Cl)(C#N)O

Isomeric SMILES

COC(=O)CC(CCSCCCCCC1=C(C=C(C=C1)Cl)Cl)(C#N)O

InChI

InChI=1S/C18H23Cl2NO3S/c1-24-17(22)12-18(23,13-21)8-10-25-9-4-2-3-5-14-6-7-15(19)11-16(14)20/h6-7,11,23H,2-5,8-10,12H2,1H3