[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C16H14BrNO3S MolecularWeight: 380.25626

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H14BrNO3S/c1-22-14-5-3-2-4-13(14)18-15(19)10-21-16(20)11-6-8-12(17)9-7-11/h2-9H,10H2,1H3,(H,18,19)