4-(3,4-dimethylphenyl)-2-ethanoylsulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3,4-dimethylphenyl)-2-ethanoylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 2-acetylsulfanyl-4-(3,4-dimethylphenyl)-4-oxo-butanoic acid CAS Name: 2-(acetylthio)-4-(3,4-dimethylphenyl)-4-oxobutanoic acid IUPAC Name: 2-acetylsulfanyl-4-(3,4-dimethylphenyl)-4-oxobutanoic acid Traditional Name: 2-(acetylthio)-4-(3,4-dimethylphenyl)-4-keto-butyric acid Formula: C14H16O4S MolecularWeight: 280.33944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CC(C(=O)O)SC(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CC(C(=O)O)SC(=O)C)C

InChI

InChI=1S/C14H16O4S/c1-8-4-5-11(6-9(8)2)12(16)7-13(14(17)18)19-10(3)15/h4-6,13H,7H2,1-3H3,(H,17,18)