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

Systemtic Name: methyl 3-cyano-3-oxidanyl-4-[6-[2-(phenylmethyl)phenyl]hexylsulfanyl]butanoate Openeye Name: methyl 4-[6-(2-benzylphenyl)hexylsulfanyl]-3-cyano-3-hydroxy-butanoate CAS Name: 3-cyano-3-hydroxy-4-[6-[2-(phenylmethyl)phenyl]hexylthio]butanoic acid methyl ester IUPAC Name: methyl 4-[6-(2-benzylphenyl)hexylsulfanyl]-3-cyano-3-hydroxybutanoate Traditional Name: 4-[6-(2-benzylphenyl)hexylthio]-3-cyano-3-hydroxy-butyric acid methyl ester Formula: C25H31NO3S MolecularWeight: 425.58354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSCCCCCCC1=CC=CC=C1CC2=CC=CC=C2)(C#N)O

Isomeric SMILES

COC(=O)CC(CSCCCCCCC1=CC=CC=C1CC2=CC=CC=C2)(C#N)O

InChI

InChI=1S/C25H31NO3S/c1-29-24(27)18-25(28,19-26)20-30-16-10-3-2-7-13-22-14-8-9-15-23(22)17-21-11-5-4-6-12-21/h4-6,8-9,11-12,14-15,28H,2-3,7,10,13,16-18,20H2,1H3