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

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C19H20BrNO4S MolecularWeight: 438.3354

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)COC(=O)CCCOC2=CC(=CC=C2)Br

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)COC(=O)CCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C19H20BrNO4S/c1-26-17-9-7-15(8-10-17)21-18(22)13-25-19(23)6-3-11-24-16-5-2-4-14(20)12-16/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,21,22)