methyl 4-[6-(4-chloranyl-2-nitro-phenyl)hexylsulfanyl]-3-cyano-3-oxidanyl-butanoate

Systemtic Name: methyl 4-[6-(4-chloranyl-2-nitro-phenyl)hexylsulfanyl]-3-cyano-3-oxidanyl-butanoate Openeye Name: methyl 4-[6-(4-chloro-2-nitro-phenyl)hexylsulfanyl]-3-cyano-3-hydroxy-butanoate CAS Name: 4-[6-(4-chloro-2-nitrophenyl)hexylthio]-3-cyano-3-hydroxybutanoic acid methyl ester IUPAC Name: methyl 4-[6-(4-chloro-2-nitrophenyl)hexylsulfanyl]-3-cyano-3-hydroxybutanoate Traditional Name: 4-[6-(4-chloro-2-nitro-phenyl)hexylthio]-3-cyano-3-hydroxy-butyric acid methyl ester Formula: C18H23ClN2O5S MolecularWeight: 414.90362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSCCCCCCC1=C(C=C(C=C1)Cl)[N+](=O)[O-])(C#N)O

Isomeric SMILES

COC(=O)CC(CSCCCCCCC1=C(C=C(C=C1)Cl)[N+](=O)[O-])(C#N)O

InChI

InChI=1S/C18H23ClN2O5S/c1-26-17(22)11-18(23,12-20)13-27-9-5-3-2-4-6-14-7-8-15(19)10-16(14)21(24)25/h7-8,10,23H,2-6,9,11,13H2,1H3