[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C16H13BrClNO3S MolecularWeight: 414.70132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrClNO3S/c1-23-12-5-3-11(4-6-12)19-15(20)9-22-16(21)13-8-10(17)2-7-14(13)18/h2-8H,9H2,1H3,(H,19,20)