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

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C20H21BrO5S MolecularWeight: 453.34674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)C2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)C2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C20H21BrO5S/c1-12-8-19(13(2)7-16(12)21)27-11-20(23)26-10-17(22)15-9-14(24-3)5-6-18(15)25-4/h5-9H,10-11H2,1-4H3