methyl 3-cyano-4-[5-(2,4-dichlorophenyl)sulfonylpentylsulfanyl]-3-oxidanyl-butanoate

Systemtic Name: methyl 3-cyano-4-[5-(2,4-dichlorophenyl)sulfonylpentylsulfanyl]-3-oxidanyl-butanoate Openeye Name: methyl 3-cyano-4-[5-(2,4-dichlorophenyl)sulfonylpentylsulfanyl]-3-hydroxy-butanoate CAS Name: 3-cyano-4-[5-(2,4-dichlorophenyl)sulfonylpentylthio]-3-hydroxybutanoic acid methyl ester IUPAC Name: methyl 3-cyano-4-[5-(2,4-dichlorophenyl)sulfonylpentylsulfanyl]-3-hydroxybutanoate Traditional Name: 3-cyano-4-[5-(2,4-dichlorophenyl)sulfonylpentylthio]-3-hydroxy-butyric acid methyl ester Formula: C17H21Cl2NO5S2 MolecularWeight: 454.38834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21Cl2NO5S2/c1-25-16(21)10-17(22,11-20)12-26-7-3-2-4-8-27(23,24)15-6-5-13(18)9-14(15)19/h5-6,9,22H,2-4,7-8,10,12H2,1H3