(2S)-4-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanyl-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-(4-tert-butylphenyl)-4-oxo-2-(p-tolylsulfanyl)butanoic acid CAS Name: (2S)-4-(4-tert-butylphenyl)-2-[(4-methylphenyl)thio]-4-oxobutanoic acid IUPAC Name: (2S)-4-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanyl-4-oxobutanoic acid Traditional Name: (2S)-4-(4-tert-butylphenyl)-4-keto-2-(p-tolylthio)butyric acid Formula: C21H24O3S MolecularWeight: 356.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@H](CC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C21H24O3S/c1-14-5-11-17(12-6-14)25-19(20(23)24)13-18(22)15-7-9-16(10-8-15)21(2,3)4/h5-12,19H,13H2,1-4H3,(H,23,24)/t19-/m0/s1