ethyl 3-(4-methylphenyl)sulfanyl-2-oxidanylidene-hexanoate

Systemtic Name: ethyl 3-(4-methylphenyl)sulfanyl-2-oxidanylidene-hexanoate Openeye Name: ethyl 2-oxo-3-(p-tolylsulfanyl)hexanoate CAS Name: 3-[(4-methylphenyl)thio]-2-oxohexanoic acid ethyl ester IUPAC Name: ethyl 3-(4-methylphenyl)sulfanyl-2-oxohexanoate Traditional Name: 2-keto-3-(p-tolylthio)hexanoic acid ethyl ester Formula: C15H20O3S MolecularWeight: 280.3825

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)OCC)SC1=CC=C(C=C1)C

Isomeric SMILES

CCCC(C(=O)C(=O)OCC)SC1=CC=C(C=C1)C

InChI

InChI=1S/C15H20O3S/c1-4-6-13(14(16)15(17)18-5-2)19-12-9-7-11(3)8-10-12/h7-10,13H,4-6H2,1-3H3