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

Systemtic Name: [2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-keto-2-(3,4,5-trimethoxyphenyl)ethyl] ester Formula: C21H23BrO6S MolecularWeight: 483.37272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrO6S/c1-12-7-19(13(2)6-15(12)22)29-11-20(24)28-10-16(23)14-8-17(25-3)21(27-5)18(9-14)26-4/h6-9H,10-11H2,1-5H3