methyl 3-cyano-4-(6-naphthalen-2-ylhexylsulfanyl)-3-oxidanyl-butanoate

Systemtic Name: methyl 3-cyano-4-(6-naphthalen-2-ylhexylsulfanyl)-3-oxidanyl-butanoate Openeye Name: methyl 3-cyano-3-hydroxy-4-[6-(2-naphthyl)hexylsulfanyl]butanoate CAS Name: 3-cyano-3-hydroxy-4-[6-(2-naphthalenyl)hexylthio]butanoic acid methyl ester IUPAC Name: methyl 3-cyano-3-hydroxy-4-(6-naphthalen-2-ylhexylsulfanyl)butanoate Traditional Name: 3-cyano-3-hydroxy-4-[6-(2-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=CC2=CC=CC=C2C=C1)(C#N)O

Isomeric SMILES

COC(=O)CC(CSCCCCCCC1=CC2=CC=CC=C2C=C1)(C#N)O

InChI

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