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

Systemtic Name: methyl 3-cyano-4-[(2,4-dichlorophenyl)methylsulfanyl]-3-oxidanyl-butanoate Openeye Name: methyl 3-cyano-4-[(2,4-dichlorophenyl)methylsulfanyl]-3-hydroxy-butanoate CAS Name: 3-cyano-4-[(2,4-dichlorophenyl)methylthio]-3-hydroxybutanoic acid methyl ester IUPAC Name: methyl 3-cyano-4-[(2,4-dichlorophenyl)methylsulfanyl]-3-hydroxybutanoate Traditional Name: 3-cyano-4-[(2,4-dichlorobenzyl)thio]-3-hydroxy-butyric acid methyl ester Formula: C13H13Cl2NO3S MolecularWeight: 334.21822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSCC1=C(C=C(C=C1)Cl)Cl)(C#N)O

Isomeric SMILES

COC(=O)CC(CSCC1=C(C=C(C=C1)Cl)Cl)(C#N)O

InChI

InChI=1S/C13H13Cl2NO3S/c1-19-12(17)5-13(18,7-16)8-20-6-9-2-3-10(14)4-11(9)15/h2-4,18H,5-6,8H2,1H3