methyl 3-cyano-3-oxidanyl-4-[5-(2-phenylphenyl)pentylsulfanyl]butanoate

Systemtic Name: methyl 3-cyano-3-oxidanyl-4-[5-(2-phenylphenyl)pentylsulfanyl]butanoate Openeye Name: methyl 3-cyano-3-hydroxy-4-[5-(2-phenylphenyl)pentylsulfanyl]butanoate CAS Name: 3-cyano-3-hydroxy-4-[5-(2-phenylphenyl)pentylthio]butanoic acid methyl ester IUPAC Name: methyl 3-cyano-3-hydroxy-4-[5-(2-phenylphenyl)pentylsulfanyl]butanoate Traditional Name: 3-cyano-3-hydroxy-4-[5-(2-phenylphenyl)pentylthio]butyric acid methyl ester Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSCCCCCC1=CC=CC=C1C2=CC=CC=C2)(C#N)O

Isomeric SMILES

COC(=O)CC(CSCCCCCC1=CC=CC=C1C2=CC=CC=C2)(C#N)O

InChI

InChI=1S/C23H27NO3S/c1-27-22(25)16-23(26,17-24)18-28-15-9-3-6-12-20-13-7-8-14-21(20)19-10-4-2-5-11-19/h2,4-5,7-8,10-11,13-14,26H,3,6,9,12,15-16,18H2,1H3