[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C21H23BrO3S MolecularWeight: 435.37452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)CSC2=C(C=C(C(=C2)C)Br)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)CSC2=C(C=C(C(=C2)C)Br)C)C)C

InChI

InChI=1S/C21H23BrO3S/c1-12-6-14(3)17(7-13(12)2)19(23)10-25-21(24)11-26-20-9-15(4)18(22)8-16(20)5/h6-9H,10-11H2,1-5H3