[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C20H21BrO3S MolecularWeight: 421.34794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CSC2=C(C=C(C(=C2)C)Br)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CSC2=C(C=C(C(=C2)C)Br)C)C

InChI

InChI=1S/C20H21BrO3S/c1-12-5-6-16(7-13(12)2)18(22)10-24-20(23)11-25-19-9-14(3)17(21)8-15(19)4/h5-9H,10-11H2,1-4H3