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

Systemtic Name: [2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)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-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-keto-2-(3,4,5-trimethoxyphenyl)ethyl] ester Formula: C20H21BrO6S MolecularWeight: 469.34614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrO6S/c1-12-7-14(21)5-6-18(12)28-11-19(23)27-10-15(22)13-8-16(24-2)20(26-4)17(9-13)25-3/h5-9H,10-11H2,1-4H3