[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: [1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [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)C)SCC(=O)OC(C)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

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

InChI

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