[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C16H14BrNO3S MolecularWeight: 380.25626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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