[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C18H18BrNO4S MolecularWeight: 424.30882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC(=CC=C1)SC)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)OCC(=O)NC1=CC(=CC=C1)SC)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H18BrNO4S/c1-12(24-15-8-6-13(19)7-9-15)18(22)23-11-17(21)20-14-4-3-5-16(10-14)25-2/h3-10,12H,11H2,1-2H3,(H,20,21)