2-ethanoyl-3-(3-methylsulfanylphenyl)-4-oxidanylidene-pentanoic acid

Systemtic Name: 2-ethanoyl-3-(3-methylsulfanylphenyl)-4-oxidanylidene-pentanoic acid Openeye Name: 2-acetyl-3-(3-methylsulfanylphenyl)-4-oxo-pentanoic acid CAS Name: 2-acetyl-3-[3-(methylthio)phenyl]-4-oxopentanoic acid IUPAC Name: 2-acetyl-3-(3-methylsulfanylphenyl)-4-oxopentanoic acid Traditional Name: 2-acetyl-4-keto-3-[3-(methylthio)phenyl]valeric acid Formula: C14H16O4S MolecularWeight: 280.33944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC(=CC=C1)SC)C(C(=O)C)C(=O)O

Isomeric SMILES

CC(=O)C(C1=CC(=CC=C1)SC)C(C(=O)C)C(=O)O

InChI

InChI=1S/C14H16O4S/c1-8(15)12(13(9(2)16)14(17)18)10-5-4-6-11(7-10)19-3/h4-7,12-13H,1-3H3,(H,17,18)