methyl 3-cyano-4-[7-(2,4-dichlorophenyl)heptylsulfanyl]-3-oxidanyl-butanoate

Systemtic Name: methyl 3-cyano-4-[7-(2,4-dichlorophenyl)heptylsulfanyl]-3-oxidanyl-butanoate Openeye Name: methyl 3-cyano-4-[7-(2,4-dichlorophenyl)heptylsulfanyl]-3-hydroxy-butanoate CAS Name: 3-cyano-4-[7-(2,4-dichlorophenyl)heptylthio]-3-hydroxybutanoic acid methyl ester IUPAC Name: methyl 3-cyano-4-[7-(2,4-dichlorophenyl)heptylsulfanyl]-3-hydroxybutanoate Traditional Name: 3-cyano-4-[7-(2,4-dichlorophenyl)heptylthio]-3-hydroxy-butyric acid methyl ester Formula: C19H25Cl2NO3S MolecularWeight: 418.3777

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSCCCCCCCC1=C(C=C(C=C1)Cl)Cl)(C#N)O

Isomeric SMILES

COC(=O)CC(CSCCCCCCCC1=C(C=C(C=C1)Cl)Cl)(C#N)O

InChI

InChI=1S/C19H25Cl2NO3S/c1-25-18(23)12-19(24,13-22)14-26-10-6-4-2-3-5-7-15-8-9-16(20)11-17(15)21/h8-9,11,24H,2-7,10,12,14H2,1H3