[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-(2-bromanyl-4-chloranyl-phenoxy)ethanoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-(2-bromanyl-4-chloranyl-phenoxy)ethanoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 2-(2-bromo-4-chloro-phenoxy)acetate CAS Name: 2-(2-bromo-4-chlorophenoxy)acetic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate Traditional Name: 2-(2-bromo-4-chloro-phenoxy)acetic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C19H17BrClNO5S MolecularWeight: 486.76398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)COC2=C(C=C(C=C2)Cl)Br)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)COC2=C(C=C(C=C2)Cl)Br)SC

InChI

InChI=1S/C19H17BrClNO5S/c1-11(23)22-15-7-12(3-6-18(15)28-2)16(24)9-27-19(25)10-26-17-5-4-13(21)8-14(17)20/h3-8H,9-10H2,1-2H3,(H,22,23)