ethyl 5-methyl-2-oxidanylidene-3-phenylsulfanyl-hexanoate

Systemtic Name: ethyl 5-methyl-2-oxidanylidene-3-phenylsulfanyl-hexanoate Openeye Name: ethyl 5-methyl-2-oxo-3-phenylsulfanyl-hexanoate CAS Name: 5-methyl-2-oxo-3-(phenylthio)hexanoic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-oxo-3-phenylsulfanylhexanoate Traditional Name: 2-keto-5-methyl-3-(phenylthio)hexanoic acid ethyl ester Formula: C15H20O3S MolecularWeight: 280.3825

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C(CC(C)C)SC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(=O)C(CC(C)C)SC1=CC=CC=C1

InChI

InChI=1S/C15H20O3S/c1-4-18-15(17)14(16)13(10-11(2)3)19-12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3