[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid (2-keto-2-mesidino-ethyl) ester Formula: C20H22BrNO3S MolecularWeight: 436.36258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C)C

InChI

InChI=1S/C20H22BrNO3S/c1-12-7-14(3)20(15(4)8-12)22-18(23)10-25-19(24)11-26-17-6-5-16(21)9-13(17)2/h5-9H,10-11H2,1-4H3,(H,22,23)