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

Systemtic Name: methyl 3-cyano-4-[5-[(2,4-dichlorophenyl)amino]pentylsulfanyl]-3-oxidanyl-butanoate Openeye Name: methyl 3-cyano-4-[5-(2,4-dichloroanilino)pentylsulfanyl]-3-hydroxy-butanoate CAS Name: 3-cyano-4-[5-(2,4-dichloroanilino)pentylthio]-3-hydroxybutanoic acid methyl ester IUPAC Name: methyl 3-cyano-4-[5-(2,4-dichloroanilino)pentylsulfanyl]-3-hydroxybutanoate Traditional Name: 3-cyano-4-[5-(2,4-dichloroanilino)pentylthio]-3-hydroxy-butyric acid methyl ester Formula: C17H22Cl2N2O3S MolecularWeight: 405.33918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSCCCCCNC1=C(C=C(C=C1)Cl)Cl)(C#N)O

Isomeric SMILES

COC(=O)CC(CSCCCCCNC1=C(C=C(C=C1)Cl)Cl)(C#N)O

InChI

InChI=1S/C17H22Cl2N2O3S/c1-24-16(22)10-17(23,11-20)12-25-8-4-2-3-7-21-15-6-5-13(18)9-14(15)19/h5-6,9,21,23H,2-4,7-8,10,12H2,1H3