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

Systemtic Name: methyl 3-cyano-4-[5-(2,4-dichlorophenyl)pentylsulfanyl]-3-oxidanyl-butanoate Openeye Name: methyl 3-cyano-4-[5-(2,4-dichlorophenyl)pentylsulfanyl]-3-hydroxy-butanoate CAS Name: 3-cyano-4-[5-(2,4-dichlorophenyl)pentylthio]-3-hydroxybutanoic acid methyl ester IUPAC Name: methyl 3-cyano-4-[5-(2,4-dichlorophenyl)pentylsulfanyl]-3-hydroxybutanoate Traditional Name: 3-cyano-4-[5-(2,4-dichlorophenyl)pentylthio]-3-hydroxy-butyric acid methyl ester Formula: C17H21Cl2NO3S MolecularWeight: 390.32454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSCCCCCC1=C(C=C(C=C1)Cl)Cl)(C#N)O

Isomeric SMILES

COC(=O)CC(CSCCCCCC1=C(C=C(C=C1)Cl)Cl)(C#N)O

InChI

InChI=1S/C17H21Cl2NO3S/c1-23-16(21)10-17(22,11-20)12-24-8-4-2-3-5-13-6-7-14(18)9-15(13)19/h6-7,9,22H,2-5,8,10,12H2,1H3