[(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: [(1R)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [(1R)-2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C19H19BrO3S MolecularWeight: 407.32136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OC(C)C(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrO3S/c1-12-4-9-17(13(2)10-12)24-11-18(21)23-14(3)19(22)15-5-7-16(20)8-6-15/h4-10,14H,11H2,1-3H3/t14-/m1/s1