(4-methyl-2-oxidanylidene-1-phenylsulfanyl-pentyl) ethanoate

Systemtic Name: (4-methyl-2-oxidanylidene-1-phenylsulfanyl-pentyl) ethanoate Openeye Name: (4-methyl-2-oxo-1-phenylsulfanyl-pentyl) acetate CAS Name: acetic acid [4-methyl-2-oxo-1-(phenylthio)pentyl] ester IUPAC Name: (4-methyl-2-oxo-1-phenylsulfanylpentyl) acetate Traditional Name: acetic acid [2-keto-4-methyl-1-(phenylthio)pentyl] ester Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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