methyl 4-[6-(4-bromophenyl)hexylsulfanyl]-3-cyano-3-oxidanyl-butanoate

Systemtic Name: methyl 4-[6-(4-bromophenyl)hexylsulfanyl]-3-cyano-3-oxidanyl-butanoate Openeye Name: methyl 4-[6-(4-bromophenyl)hexylsulfanyl]-3-cyano-3-hydroxy-butanoate CAS Name: 4-[6-(4-bromophenyl)hexylthio]-3-cyano-3-hydroxybutanoic acid methyl ester IUPAC Name: methyl 4-[6-(4-bromophenyl)hexylsulfanyl]-3-cyano-3-hydroxybutanoate Traditional Name: 4-[6-(4-bromophenyl)hexylthio]-3-cyano-3-hydroxy-butyric acid methyl ester Formula: C18H24BrNO3S MolecularWeight: 414.35706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSCCCCCCC1=CC=C(C=C1)Br)(C#N)O

Isomeric SMILES

COC(=O)CC(CSCCCCCCC1=CC=C(C=C1)Br)(C#N)O

InChI

InChI=1S/C18H24BrNO3S/c1-23-17(21)12-18(22,13-20)14-24-11-5-3-2-4-6-15-7-9-16(19)10-8-15/h7-10,22H,2-6,11-12,14H2,1H3