methyl 5-cyano-3,3-dimethyl-4-phenylsulfanyl-pentanoate

Systemtic Name: methyl 5-cyano-3,3-dimethyl-4-phenylsulfanyl-pentanoate Openeye Name: methyl 5-cyano-3,3-dimethyl-4-phenylsulfanyl-pentanoate CAS Name: 5-cyano-3,3-dimethyl-4-(phenylthio)pentanoic acid methyl ester IUPAC Name: methyl 5-cyano-3,3-dimethyl-4-phenylsulfanylpentanoate Traditional Name: 5-cyano-3,3-dimethyl-4-(phenylthio)valeric acid methyl ester Formula: C15H19NO2S MolecularWeight: 277.38186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)OC)C(CC#N)SC1=CC=CC=C1

Isomeric SMILES

CC(C)(CC(=O)OC)C(CC#N)SC1=CC=CC=C1

InChI

InChI=1S/C15H19NO2S/c1-15(2,11-14(17)18-3)13(9-10-16)19-12-7-5-4-6-8-12/h4-8,13H,9,11H2,1-3H3