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

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C20H22BrNO3S MolecularWeight: 436.36258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C20H22BrNO3S/c1-14-11-18(15(2)10-17(14)21)26-13-20(24)25-12-19(23)22-9-8-16-6-4-3-5-7-16/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,22,23)