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

Systemtic Name: methyl 3-cyano-3-oxidanyl-4-[6-(4-phenylphenyl)hexylsulfanyl]butanoate Openeye Name: methyl 3-cyano-3-hydroxy-4-[6-(4-phenylphenyl)hexylsulfanyl]butanoate CAS Name: 3-cyano-3-hydroxy-4-[6-(4-phenylphenyl)hexylthio]butanoic acid methyl ester IUPAC Name: methyl 3-cyano-3-hydroxy-4-[6-(4-phenylphenyl)hexylsulfanyl]butanoate Traditional Name: 3-cyano-3-hydroxy-4-[6-(4-phenylphenyl)hexylthio]butyric acid methyl ester Formula: C24H29NO3S MolecularWeight: 411.55696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2)(C#N)O

Isomeric SMILES

COC(=O)CC(CSCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2)(C#N)O

InChI

InChI=1S/C24H29NO3S/c1-28-23(26)17-24(27,18-25)19-29-16-8-3-2-5-9-20-12-14-22(15-13-20)21-10-6-4-7-11-21/h4,6-7,10-15,27H,2-3,5,8-9,16-17,19H2,1H3