(2R)-4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-butanoate CAS Name: (2R)-4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylthio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxobutanoate Traditional Name: (2R)-4-(4-tert-butylphenyl)-2-[(4-chlorobenzyl)thio]-4-keto-butyrate Formula: C21H22ClO3S- MolecularWeight: 389.91558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C(=O)[O-])SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H23ClO3S/c1-21(2,3)16-8-6-15(7-9-16)18(23)12-19(20(24)25)26-13-14-4-10-17(22)11-5-14/h4-11,19H,12-13H2,1-3H3,(H,24,25)/p-1/t19-/m1/s1