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

Systemtic Name: (2R)-4-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-butanoate CAS Name: (2R)-4-(4-bromophenyl)-2-[(4-chlorophenyl)methylthio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxobutanoate Traditional Name: (2R)-4-(4-bromophenyl)-2-[(4-chlorobenzyl)thio]-4-keto-butyrate Formula: C17H13BrClO3S- MolecularWeight: 412.70532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(CC(=O)C2=CC=C(C=C2)Br)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CS[C@H](CC(=O)C2=CC=C(C=C2)Br)C(=O)[O-])Cl

InChI

InChI=1S/C17H14BrClO3S/c18-13-5-3-12(4-6-13)15(20)9-16(17(21)22)23-10-11-1-7-14(19)8-2-11/h1-8,16H,9-10H2,(H,21,22)/p-1/t16-/m1/s1