methyl 3-cyano-4-(6-naphthalen-1-ylhexylsulfanyl)-3-oxidanyl-butanoate

Systemtic Name: methyl 3-cyano-4-(6-naphthalen-1-ylhexylsulfanyl)-3-oxidanyl-butanoate Openeye Name: methyl 3-cyano-3-hydroxy-4-[6-(1-naphthyl)hexylsulfanyl]butanoate CAS Name: 3-cyano-3-hydroxy-4-[6-(1-naphthalenyl)hexylthio]butanoic acid methyl ester IUPAC Name: methyl 3-cyano-3-hydroxy-4-(6-naphthalen-1-ylhexylsulfanyl)butanoate Traditional Name: 3-cyano-3-hydroxy-4-[6-(1-naphthyl)hexylthio]butyric acid methyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSCCCCCCC1=CC=CC2=CC=CC=C21)(C#N)O

Isomeric SMILES

COC(=O)CC(CSCCCCCCC1=CC=CC2=CC=CC=C21)(C#N)O

InChI

InChI=1S/C22H27NO3S/c1-26-21(24)15-22(25,16-23)17-27-14-7-3-2-4-9-18-11-8-12-19-10-5-6-13-20(18)19/h5-6,8,10-13,25H,2-4,7,9,14-15,17H2,1H3