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

Systemtic Name: methyl 3-cyano-4-[4-[(2,4-dichlorophenyl)sulfonylamino]butylsulfanyl]-3-oxidanyl-butanoate Openeye Name: methyl 3-cyano-4-[4-[(2,4-dichlorophenyl)sulfonylamino]butylsulfanyl]-3-hydroxy-butanoate CAS Name: 3-cyano-4-[4-[(2,4-dichlorophenyl)sulfonylamino]butylthio]-3-hydroxybutanoic acid methyl ester IUPAC Name: methyl 3-cyano-4-[4-[(2,4-dichlorophenyl)sulfonylamino]butylsulfanyl]-3-hydroxybutanoate Traditional Name: 3-cyano-4-[4-[(2,4-dichlorophenyl)sulfonylamino]butylthio]-3-hydroxy-butyric acid methyl ester Formula: C16H20Cl2N2O5S2 MolecularWeight: 455.3764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20Cl2N2O5S2/c1-25-15(21)9-16(22,10-19)11-26-7-3-2-6-20-27(23,24)14-5-4-12(17)8-13(14)18/h4-5,8,20,22H,2-3,6-7,9,11H2,1H3