(2R)-4-(4-tert-butylphenyl)-2-(4-chlorophenyl)sulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: (2R)-4-(4-tert-butylphenyl)-2-(4-chlorophenyl)sulfanyl-4-oxidanylidene-butanoic acid Openeye Name: (2R)-4-(4-tert-butylphenyl)-2-(4-chlorophenyl)sulfanyl-4-oxo-butanoic acid CAS Name: (2R)-4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)thio]-4-oxobutanoic acid IUPAC Name: (2R)-4-(4-tert-butylphenyl)-2-(4-chlorophenyl)sulfanyl-4-oxobutanoic acid Traditional Name: (2R)-4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)thio]-4-keto-butyric acid Formula: C20H21ClO3S MolecularWeight: 376.89694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C(=O)O)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C[C@H](C(=O)O)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H21ClO3S/c1-20(2,3)14-6-4-13(5-7-14)17(22)12-18(19(23)24)25-16-10-8-15(21)9-11-16/h4-11,18H,12H2,1-3H3,(H,23,24)/t18-/m1/s1