methyl 3-cyano-3-oxidanyl-4-(5-phenylpentylsulfanyl)butanoate

Systemtic Name: methyl 3-cyano-3-oxidanyl-4-(5-phenylpentylsulfanyl)butanoate Openeye Name: methyl 3-cyano-3-hydroxy-4-(5-phenylpentylsulfanyl)butanoate CAS Name: 3-cyano-3-hydroxy-4-(5-phenylpentylthio)butanoic acid methyl ester IUPAC Name: methyl 3-cyano-3-hydroxy-4-(5-phenylpentylsulfanyl)butanoate Traditional Name: 3-cyano-3-hydroxy-4-(5-phenylpentylthio)butyric acid methyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3S/c1-21-16(19)12-17(20,13-18)14-22-11-7-3-6-10-15-8-4-2-5-9-15/h2,4-5,8-9,20H,3,6-7,10-12,14H2,1H3