ethyl 5-(2-methylsulfanylphenyl)-5-oxidanylidene-pentanoate

Systemtic Name: ethyl 5-(2-methylsulfanylphenyl)-5-oxidanylidene-pentanoate Openeye Name: ethyl 5-(2-methylsulfanylphenyl)-5-oxo-pentanoate CAS Name: 5-[2-(methylthio)phenyl]-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-(2-methylsulfanylphenyl)-5-oxopentanoate Traditional Name: 5-keto-5-[2-(methylthio)phenyl]valeric acid ethyl ester Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC(=O)C1=CC=CC=C1SC

Isomeric SMILES

CCOC(=O)CCCC(=O)C1=CC=CC=C1SC

InChI

InChI=1S/C14H18O3S/c1-3-17-14(16)10-6-8-12(15)11-7-4-5-9-13(11)18-2/h4-5,7,9H,3,6,8,10H2,1-2H3