[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester Formula: C19H20BrNO6S MolecularWeight: 470.3342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C19H20BrNO6S/c1-24-15-8-13(9-16(25-2)19(15)26-3)21-17(22)10-27-18(23)11-28-14-6-4-12(20)5-7-14/h4-9H,10-11H2,1-3H3,(H,21,22)