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

Systemtic Name: methyl 3-cyano-3-oxidanyl-4-[5-(4-phenylphenyl)pentylsulfanyl]butanoate Openeye Name: methyl 3-cyano-3-hydroxy-4-[5-(4-phenylphenyl)pentylsulfanyl]butanoate CAS Name: 3-cyano-3-hydroxy-4-[5-(4-phenylphenyl)pentylthio]butanoic acid methyl ester IUPAC Name: methyl 3-cyano-3-hydroxy-4-[5-(4-phenylphenyl)pentylsulfanyl]butanoate Traditional Name: 3-cyano-3-hydroxy-4-[5-(4-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=C(C=C1)C2=CC=CC=C2)(C#N)O

Isomeric SMILES

COC(=O)CC(CSCCCCCC1=CC=C(C=C1)C2=CC=CC=C2)(C#N)O

InChI

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