(2S)-2-(ethanoylsulfanylmethyl)-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-(ethanoylsulfanylmethyl)-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-2-(acetylsulfanylmethyl)-4-oxo-4-(p-tolyl)butanoic acid CAS Name: (2S)-2-[(acetylthio)methyl]-4-(4-methylphenyl)-4-oxobutanoic acid IUPAC Name: (2S)-2-(acetylsulfanylmethyl)-4-(4-methylphenyl)-4-oxobutanoic acid Traditional Name: (2S)-2-[(acetylthio)methyl]-4-keto-4-(p-tolyl)butyric acid Formula: C14H16O4S MolecularWeight: 280.33944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@H](CSC(=O)C)C(=O)O

InChI

InChI=1S/C14H16O4S/c1-9-3-5-11(6-4-9)13(16)7-12(14(17)18)8-19-10(2)15/h3-6,12H,7-8H2,1-2H3,(H,17,18)/t12-/m1/s1