methyl 3,5-bis(bromanyl)-2-[[2-(4-bromophenyl)sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: methyl 3,5-bis(bromanyl)-2-[[2-(4-bromophenyl)sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: methyl 3,5-dibromo-2-[[2-(4-bromophenyl)sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 3,5-dibromo-2-[[2-[(4-bromophenyl)thio]-1-oxo-2-phenylethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3,5-dibromo-2-[[2-(4-bromophenyl)sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 3,5-dibromo-2-[[2-[(4-bromophenyl)thio]-2-phenyl-acetyl]amino]benzoic acid methyl ester Formula: C22H16Br3NO3S MolecularWeight: 614.14434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)Br)Br)Br

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)Br)Br)Br

InChI

InChI=1S/C22H16Br3NO3S/c1-29-22(28)17-11-15(24)12-18(25)19(17)26-21(27)20(13-5-3-2-4-6-13)30-16-9-7-14(23)8-10-16/h2-12,20H,1H3,(H,26,27)