(4-methyl-2-oxidanylidene-1-phenylsulfanyl-pentan-3-yl) ethanoate

Systemtic Name: (4-methyl-2-oxidanylidene-1-phenylsulfanyl-pentan-3-yl) ethanoate Openeye Name: (1-isopropyl-2-oxo-3-phenylsulfanyl-propyl) acetate CAS Name: acetic acid [4-methyl-2-oxo-1-(phenylthio)pentan-3-yl] ester IUPAC Name: (4-methyl-2-oxo-1-phenylsulfanylpentan-3-yl) acetate Traditional Name: acetic acid [1-isopropyl-2-keto-3-(phenylthio)propyl] ester Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)CSC1=CC=CC=C1)OC(=O)C

Isomeric SMILES

CC(C)C(C(=O)CSC1=CC=CC=C1)OC(=O)C

InChI

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