(2R)-4-(4-bromophenyl)-2-cyclohexylsulfanyl-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-bromophenyl)-2-cyclohexylsulfanyl-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-bromophenyl)-2-cyclohexylsulfanyl-4-oxo-butanoate CAS Name: (2R)-4-(4-bromophenyl)-2-(cyclohexylthio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-bromophenyl)-2-cyclohexylsulfanyl-4-oxobutanoate Traditional Name: (2R)-4-(4-bromophenyl)-2-(cyclohexylthio)-4-keto-butyrate Formula: C16H18BrO3S- MolecularWeight: 370.28132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC(CC(=O)C2=CC=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)S[C@H](CC(=O)C2=CC=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C16H19BrO3S/c17-12-8-6-11(7-9-12)14(18)10-15(16(19)20)21-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10H2,(H,19,20)/p-1/t15-/m1/s1