methyl 3-cyano-4-(3-naphthalen-2-ylpropylsulfanyl)-3-oxidanyl-butanoate

Systemtic Name: methyl 3-cyano-4-(3-naphthalen-2-ylpropylsulfanyl)-3-oxidanyl-butanoate Openeye Name: methyl 3-cyano-3-hydroxy-4-[3-(2-naphthyl)propylsulfanyl]butanoate CAS Name: 3-cyano-3-hydroxy-4-[3-(2-naphthalenyl)propylthio]butanoic acid methyl ester IUPAC Name: methyl 3-cyano-3-hydroxy-4-(3-naphthalen-2-ylpropylsulfanyl)butanoate Traditional Name: 3-cyano-3-hydroxy-4-[3-(2-naphthyl)propylthio]butyric acid methyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSCCCC1=CC2=CC=CC=C2C=C1)(C#N)O

Isomeric SMILES

COC(=O)CC(CSCCCC1=CC2=CC=CC=C2C=C1)(C#N)O

InChI

InChI=1S/C19H21NO3S/c1-23-18(21)12-19(22,13-20)14-24-10-4-5-15-8-9-16-6-2-3-7-17(16)11-15/h2-3,6-9,11,22H,4-5,10,12,14H2,1H3